Lorena A. Barba group

Publications

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All Publications

  • "Policy recommendations to ensure that research software is openly accessible and reusable", Erin C. McKiernan, Lorena A. Barba, Philip E. Bourne, Caitlin Carter, Zach Chandler, Sayeed Choudhury, Stephen Jacobs, Daniel S. Katz, Stefanie Lieggi, Beth Plale, Greg Tananbaum. PLOS Biology, 21(7):e3002204 (July 2023). 10.1371/journal.pbio.3002204
  • "Predictive Limitations of Physics-Informed Neural Networks in Vortex Shedding", Pi-Yueh Chuang, Lorena A. Barba. (May 2023). Preprint arXiv:2306.00230
  • "Inexact GMRES iterations and relaxation strategies with fast-multipole boundary element method", Tingyu Wang, Simon K. Layton, Lorena A. Barba. Advances in Computational Mathematics, 38:32 (2022). 10.1007/s10444-022-09932-8 // Preprint arXiv:1506.05957 // Code repository // Manuscript source files

    Preprint v1: June 2015 (first submission); v2: Nov. 2016 (second submission); v3: July 2021 (third submission). Accepted: Feb. 2022. Published online: 10 May 2022.

  • "PyExaFMM: an exercise in designing high-performance software with Python and Numba", Srinath Kailasa, Tingyu Wang, Lorena A. Barba, Timo Betcke. Computing in Science and Engineering, 24(5):77-84 (2022). 10.1109/MCSE.2023.3258288 // Preprint arXiv:2303.08394
  • "Experience report of physics-informed neural networks in fluid simulations: pitfalls and frustration", Pi-Yueh Chuang, Lorena A. Barba. Proceedings of the 21st Python in Science Conference (SciPy 202) (July 2022), Austin, TX. 10.25080/majora-212e5952-005 // Preprint arXiv:2205.14249 // Abstract and link to PDF
  • "Experience Report of Physics-Informed Neural Networks in Fluid Simulations: Pitfalls and Frustration", Pi-Yueh Chuang, Lorena A. Barba. 21st Python in Science Conference (SciPy 2022) (July 2022), Austin, TX. 10.6084/m9.figshare.21432810.v2
  • "Reproducible validation and replication studies in nanoscale physics", Natalia C. Clementi, Lorena A. Barba. Philosophical Transactions of the Royal Society A, 379(2197):20200068 (March 2021). 10.1098/rsta.2020.0068 // Preprint arXiv:2008.05414 // manuscript repository

    Published online 29/03/2021. Published in print 17/05/2021.

  • "Trustworthy computational evidence through transparency and reproducibility", Lorena A. Barba. Computing in Science and Engineering, 23(1):58-64 (Jan/Feb 2021), IEEE Computer Society. 10.1109/MCSE.2020.3048406 // Preprint on Authorea.
  • "High-productivity, high-performance workflow for virus-scale electrostatic simulations with Bempp-Exafmm", Tingyu Wang, Christopher D. Cooper, Timo Betcke, Lorena A. Barba. (March 2021). Preprint arXiv:2103.01048 // manuscript repository // archive: meshes and pqr files // archive: manuscript and repro-pack
  • "High-productivity, high-performance workflow for virus-scale electrostatic simulations with Bempp-Exafmm (meshes and pqr files)", Tingyu Wang, Christopher D. Cooper, Timo Betcke, Lorena A. Barba. (2021). 10.5281/zenodo.4568768

    Reproducibility package.

  • "High-productivity, high-performance workflow for virus-scale electrostatic simulations with Bempp-Exafmm (manuscript and repro-pack)", Tingyu Wang, Christopher D. Cooper, Timo Betcke, Lorena A. Barba. (2021). 10.5281/zenodo.4568951

    Archive of the manuscript GitHub repository, upon submission of the paper.

  • "ExaFMM: a high-performance fast multipole method library with C++ and Python interfaces", Tingyu Wang, Rio Yokota, Lorena A. Barba. The Journal of Open Source Software, 6(61):3145 (2021). 10.21105/joss.03145 // code repository
  • "geoclaw-landspill: an oil land-spill and overland flow simulator for pipeline rupture events", Pi-Yueh Chuang, Tracy Thorleifson, Lorena A. Barba. The Journal of Open Source Software, 6(62):3114 (June 2021). 10.21105/joss.03114 // code repository
  • "[Re] Three-dimensional wake topology and propulsive performance of low-aspect-ratio pitching-rolling plates", Olivier Mesnard, Lorena A. Barba. ReScience C, 7(1):7 (August 2021). 10.5281/zenodo.5234931 // Preprint arXiv:2105.00775 // code and data // manuscript repository

    Open access. © The authors, CC-BY 4.0.

  • "The Python/Jupyter Ecosystem: Today’s Problem-Solving Environment for Computational Science", Lorena A. Barba. Computing in Science and Engineering, 23(3):5-9 (May/June 2021), IEEE Computer Society. 10.1109/MCSE.2021.3074693 // Preprint in Authorea
  • "Scientific Computing With Python on High-Performance Heterogeneous Systems", Lorena A. Barba, Andreas Klöckner, Prabhu Ramachandran, Rollin Thomas. Computing in Science & Engineering, 23(4):5–7 (July/August 2021), IEEE Computer Society. 10.1109/MCSE.2021.3088549
  • "Reproducible workflow on a public cloud for computational fluid dynamics", Olivier Mesnard, Lorena A. Barba. Computing in Science and Engineering, 22(1):102-116 (2020). 10.1109/MCSE.2019.2941702 // Preprint arXiv:1904.07981 // paper repository

    Published online: 17 September 2019.

  • "Engineers Code: reusable open learning modules for engineering computations", Lorena A. Barba. Computing in Science and Engineering, 22(4):26-35 (July/August 2020). 10.1109/MCSE.2020.2976002 // Preprint arXiv:2001.00228 // manuscript GitHub repo
  • "Computational science and engineering in 2020", Lorena A. Barba. Computing in Science and Engineering, 22(6):5–7 (Nov./Dec. 2020), IEEE Computer Society. 10.1109/MCSE.2020.3027933 // preprint on Authorea
  • "Praxis of reproducible computational science", Lorena A. Barba. Computing in Science and Engineering, 21(1):73-78 (Feb. 2019), IEEE. 10.1109/MCSE.2018.2881905 // preprint on Authorea
  • "Computational nanoplasmonics in the quasistatic limit for biosensing applications", Natalia C. Clementi, Christopher D. Cooper, Lorena A. Barba. Physical Review E, 100:063305 (Dec. 2019). 10.1103/PhysRevE.100.063305 // Preprint arXiv:1812.10722 // paper repository // reproducibility packages
  • "Reproducibility and Replicability in Science", National Academies of Sciences, Engineering, and Medicine. (May 2019). 10.17226/25303 // News post

    The National Academies Press, Washington, DC

  • "Aero Python: classical aerodynamics of potential flow using Python", Lorena A. Barba, Olivier Mesnard. Journal of Open Source Education, 2(15):45 (May 2019). 10.21105/jose.00045 // GitHub repo // Archive

    Open access

  • "PyGBe-LSPR—Computational nanoplasmonics for biosensing applications (reproducibility packages)", Natalia C. Clementi, Christopher D. Cooper, Lorena A. Barba. (2019). 10.6084/m9.figshare.c.4346156

    Figshare collection.

  • "PyGBe-LSPR—Computational nanoplasmonics for biosensing applications (execution files)", Natalia C. Clementi, Christopher D. Cooper, Lorena A. Barba. (2019). 10.5281/zenodo.2513715

    Zenodo archive.

  • "PyGBe-LSPR—Computational nanoplasmonics for biosensing applications (problem datasets)", Natalia C. Clementi, Christopher D. Cooper, Lorena A. Barba. (2019). 10.5281/zenodo.2511600

    Zenodo archive.

  • "Cloud-Repro: Reproducible Workflow on a Public Cloud for Computational Fluid Dynamics", Olivier Mesnard, Lorena A. Barba. (2019). 10.5281/zenodo.3374865

    Zenodo archive: secondary data required to reproduce the figures of the manuscript “Reproducible Workflow on a Public Cloud for Computational Fluid Dynamics” without running the CFD simulations again.

  • "Journal of Open Source Software (JOSS): design and first-year review", Arfon M. Smith, Kyle E. Niemeyer, Daniel S. Katz, Lorena A. Barba, et al. PeerJ Computer Science, 4:e147 (February 2018). 10.7717/peerj-cs.147 // Preprint arXiv:1707.02264
  • "Terminologies for Reproducible Research", Lorena A. Barba. (February 2018). Preprint arXiv:1802.03311
  • "PetIBM: toolbox and applications of the immersed-boundary method on distributed-memory architectures", Pi-Yueh Chuang, Olivier Mesnard, Anush Krishnan, Lorena A. Barba. The Journal of Open Source Software, 3(25):558 (May 2018). 10.21105/joss.00558 // Code repository

    Open access.

  • "Engineers Code: Re-usable, Open Educational Modules for Engineering Undergraduates", Lorena A. Barba, Natalia C. Clementi. JupyterCon (August 2018), NYC. 10.6084/m9.figshare.7150952
  • "CFD Python: the 12 steps to Navier-Stokes equations", Lorena A. Barba, Gilbert F. Forsyth. The Journal of Open Source Education, 1(9):21 (November 2018). 10.21105/jose.00021 // Zenodo archive // GitHub repository
  • "The principles of tomorrow's university", Daniel S. Katz, Gabrielle Allen, Lorena A. Barba, Devin R. Berg, Holly Bik, Carl Boettiger, Christine L. Borgman, C. Titus Brown, Stuart Buck, Randy Burd, Anita de Waard, Martin Paul Eve, Brian E. Granger, Josh Greenberg, Adina Howe, Bill Howe, May Khanna, Timothy L. Killeen, Matthew Mayernik, Erin McKiernan, Chris Mentzel, Nirav Mercant, Kyle E. Niemeyer, Laura Noren, Sarah M. Nussesr, Daniel A. Reed, Edward Seidel, MacKenzie Smith, Jeffrey R. Spies, Matthew Turk, John D. Van Horn, Jay Walsh. F1000Research, 7:1926 (December 2018). 10.12688/f1000research.17425.1

    [version 1; referees: 1 approved]

  • "Toward a compatible reproducibility taxonomy for computational and computing sciences", Michael A. Heroux, Lorena A. Barba, Manish Parashar, Victoria Stodden, Michela Taufer. (October 2018). 10.2172/1481626 // OSTI Record

    Sandia National Laboratory Technical Report SAND2018-11186

  • "Open Source Software Policy Options for NASA Earth and Space Sciences", National Academies of Sciences, Engineering, and Medicine. (September 2018). 10.17226/25217 // News post

    The National Academies Press, Washington, DC

  • "PyGBe-LSPR—Computational nanoplasmonics for biosensing applications (reproducibility packages)", Natalia C. Clementi, Christopher D. Cooper, Lorena A. Barba. (December 2018). 10.6084/m9.figshare.c.4346156

    Repro-packs for the paper: “Computational nanoplasmonics in the quasistatic limit for biosensing applications,” Phys. Rev. E. Includes all the necessary information to reproduce the figures of the paper.

  • "Reproducible and replicable CFD: it's harder than you think", Olivier Mesnard, Lorena A. Barba. IEEE/AIP Computing in Science and Engineering, 19(4):44–55 (August 2017). 10.1109/MCSE.2017.3151254 // Preprint arXiv:1605.04339 // Authorea manuscript // GitHub repo

    Accepted October 2016.

  • "Achieving Full Replication of our Own Published CFD Results, with Four Different Codes", Olivier Mesnard, Lorena A. Barba. (2017). // online chapter // publisher webpage

    In The Practice of Reproducible Research: Case Studies and Lessons from the Data-Intensive Sciences, Justin Kitzes, Daniel Turek, Fatma Deniz (Eds.), California University Press. ISBN 9780520294752.

  • "Using AmgX to Accelerate PETSc-Based CFD Codes", Pi-Yueh Chuang, Lorena A. Barba. (2017). 10.6084/m9.figshare.5018774.v1 // nbviewer // code

    Jupyter notebook, supplementary material for a talk at the 2016 GPU Technology Conference, on Thu. April 7th: session S6355. On figshare under CC-BY.

  • "PyGBe on Localized Surface Plasmon Resonance (LSPR)", Natalia C. Clementi, Christopher D. Cooper, Gilbert Forsyth, Lorena A. Barba. (May 2017). 10.6084/m9.figshare.4983311.v3 // nbviewer // code

    Jupyter notebook, preliminary results. On figshare under CC-BY.

  • "Numerical MOOC: Collaborating in Open Education for CSE", Lorena A. Barba, Bernard Knaepen, Ian Hawke. SIAM Conference in Computational Science and Engineering organized by Society for Industrial and Applied Mathematics (February 2017), Atlanta, GA. 10.6084/m9.figshare.4696384.v1 // abstract
  • "cuIBM: a GPU-based immersed boundary method code", Anush Krishnan, Olivier Mesnard, Lorena A. Barba. The Journal of Open Source Software, 2(15):301 (July 2017). 10.21105/joss.00301 // Code repository

    Open access.

  • "Sustainable computational science: the ReScience initiative", Nicolas P. Rougier, Konrad Hinsen, Frédéric Alexandre, Thomas Arildsen, Lorena A. Barba, Fabien C.Y. Benureau, C. Titus Brown, et al. PeerJ Computer Science, 3:e142 (December 2017). 10.7717/peerj-cs.142 // Preprint arXiv:1707.04393
  • "Reproducible Research for Computing in Science & Engineering", Lorena A. Barba, George K. Thiruvathukal. Computing in Science and Engineering, 19(6):85-87 (October 2017), IEEE/AIP. 10.1109/MCSE.2017.3971172

    Open access.

  • "AmgXWrapper: An interface between PETSc and the NVIDIA AmgX library", Pi-Yueh Chuang, Lorena A. Barba. The Journal of Open Source Software, 2(16):280 (August 2017). 10.21105/joss.00280 // Code repository

    Open access.

  • "PyGBe-LSPR: Python and GPU Boundary-integral solver for electrostatics", Natalia C. Clementi, Gilbert Forsyth, Christopher D. Cooper, Lorena A. Barba. The Journal of Open Source Software, 2(19):306 (November 2017). 10.21105/joss.00306 // Code repository

    Open access.

  • "Poisson-Boltzmann model for protein-surface electrostatic interactions and grid-convergence study using the PyGBe code", Christopher D. Cooper, Lorena A. Barba. Comput. Phys. Comm., 202:23-32 (May 2016). 10.1016/j.cpc.2015.12.019 // Preprint arXiv:1506.03745 // Code repository // manuscript repository // figshare: grid convergence, spherical surfaces // figshare: grid convergence on protein GB1

    Accepted 26 Dec. 2015

  • "PyGBe: Python, GPUs and Boundary elements for biomolecular electrostatics", Christopher D. Cooper, Natalia C. Clementi, Gilbert Forsyth, Lorena A. Barba. The Journal of Open Source Software, 1(4) (August 2016). 10.21105/joss.00043 // Code repository
  • "Accelerating PETSc-Based CFD Codes with Multi-GPU Computing", Pi-Yueh Chuang, Lorena A. Barba. The International Conference for High Performance Computing, Networking, Storage and Analysis organized by ACM, IEEE Computer Society (November 2016), Salt Lake City, UT. // SC16 poster abstract
  • "The hard road to reproducibility", Barba, Lorena A.. Science, 354(6308):142 (October 2016), AAAS. 10.1126/science.354.6308.142 // PDF
  • "Guest editorial: Flipped classrooms in STEM", Barba, Lorena A., Kaw, Autar, LeDoux, Joseph M.. Advances in Engineering Education, 5(3) (November 2016), American Society for Engineering Education. // PDF
  • "Probing protein orientation near charged nanosurfaces for simulation-assisted biosensor design", Christopher D. Cooper, Natalia C. Clementi, Lorena A. Barba. J. Chem. Phys., 143:124709 (September 2015). 10.1063/1.4931113 // Preprint arXiv:1503.08150v4 // code repository // manuscript repository // figshare: orientation of protein GB1 // figshare: orientation of immunoglobulin G // figshare: grid convergence, immunoglobulin G

    Version 3 of the preprint is the version submitted to a journal, after the original manuscript was split in two. Version 4 is the post peer-review revision.

  • "Grid convergence of PyGBe with a spherical molecule near spherical surface", Christopher D. Cooper, Lorena A. Barba. (March 2015). 10.6084/m9.figshare.1348841.v4 // Paper containing figure

    Reproducibility package including data, running script, plotting script, and figure of grid-convergence study using two spheres, one with prescribed potential. On figshare under CC-BY.

  • "Grid convergence of PyGBe with protein G B1 D4'", Christopher D. Cooper, Lorena A. Barba. (March 2015). 10.6084/m9.figshare.1348803.v10 // Paper containing figure

    Reproducibility package including data, running script, plotting script and figure(s). On figshare under CC-BY.

  • "Protein orientation near a charged surface using PyGBe and protein G B1 D4'", Christopher D. Cooper, Lorena A. Barba. (March 2015). https://dx.doi.org/10.6084/m9.figshare.1348804.v6 // Paper containing figure(s)

    Reproducibility package including data, running script, plotting script and figure. On figshare under CC-BY.

  • "Grid convergence of PyGBe with immunoglobulin G near a charged surface", Christopher D. Cooper, Lorena A. Barba. (March 2015). 10.6084/m9.figshare.1348801.v8 // Paper containing figure

    Reproducibility package including data, running script, plotting script and figure. On figshare under CC-BY.

  • "Protein orientation near charged surface using PyGBe with immunoglobulin G", Christopher D. Cooper, Lorena A. Barba. (March 2015). 10.6084/m9.figshare.1348802.v8 // Paper containing figure(s)

    Reproducibility package including data, running script, plotting script and figure. On figshare under CC-BY.

  • "Lift and wakes of flying snakes", Anush Krishnan, John J. Socha, Pavlos V. Vlachos, L. A. Barba. Phys. Fluids, 26:031901 (2014). 10.1063/1.4866444 // Preprint arXiv:1309.2969 // figshare: body geometry // figshare: lift and drag coefficient curves //
  • "A biomolecular electrostatics solver using Python, GPUs and boundary elements that can handle solvent-filled cavities and Stern layers", Christopher D. Cooper, Jaydeep P. Bardhan, L. A. Barba. Comput. Phys. Comm., 185(3):720–729 (March 2014). 10.1016/j.cpc.2013.10.028 // Preprint arXiv:1309.4018 // figshare: convergence with sphere // figshare: lysozyme // figshare: trypsin-BPTI complex // figshare: peptide-RNA complex // code repository //

    Published online 4 November, 2013.

  • "Finding the Force—Consistent Particle Seeding for Satellite Aerodynamics", J. Brent Parham, L. A. Barba. AIAA Modeling and Simulation Technologies Conference organized by American Institute of Aeronautics and Astronautics (January 2014), National Harbor, Maryland.. 10.2514/6.2014-1492 // Preprint arXiv:1312.3691 // Aerospace Research Central

    AIAA paper, revised manuscript submitted in December 2013.

  • "The Gathering Storm: Flipping the Classroom", Lorena A. Barba. SHPE Magazine, Winter 2014, 16(1):28–30 (January 2014), Society of Hispanic Professional Engineers. // SHPE website
  • "AeroPython", Lorena A. Barba, Olivier Mesnard. (April 2014). 10.6084/m9.figshare.1004727 // Code repository

    Set of 11 lessons in classical Aerodynamics on IPython Notebooks.

  • "Proposal: A multi-campus, blended, connected course + MOOC", L. A. Barba. (July 2014). 10.6084/m9.figshare.1124190 // Course announcement
  • "Petascale turbulence simulation using a highly parallel fast multipole method", Rio Yokota, L. A. Barba, Tetsu Narumi, Kenji Yasuoka. Comput. Phys. Comm., 184(3):445–455 (March 2013). 10.1016/j.cpc.2012.09.011 // Preprint arXiv:1106.5273 // exaFMM code webpage

    Published online 13 Sept. 2012.

  • "FMM-based vortex method for simulation of isotropic turbulence on GPUs, compared with a spectral method", Rio Yokota, L. A. Barba. Computers & Fluids, 80:17–27 (July 2013). 10.1016/j.compfluid.2012.08.002 // Preprint arXiv:1110.2921

    Published online 13 Aug. 2012.

  • "Validation of the PyGBe code for Poisson-Boltzmann equation with boundary element methods", Christopher D. Cooper, L. A. Barba. (25 January 2013). 10.6084/m9.figshare.154331 // Code repository

    Technical Report published on figshare under CC-BY-NC-SA.

  • "Everybody's Flippin' —An update on the flipped classroom", L. A. Barba. (17 February 2013). 10.6084/m9.figshare.157200 // Blog post

    Full-length video (screencast) from the talk, published on figshare under CC-BY

  • "Flying snake wake visualizations with cuIBM", Anush Krishnan, L. A. Barba. (19 February 2013). 10.6084/m9.figshare.157334

    Video published on figshare under CC-BY.

  • "PyGBe: Python on the surface, GPUs at the heart. BEM solver for Electrostatics of Biomolecules", Christopher D. Cooper, L. A. Barba. (13 March 2013). 10.6084/m9.figshare.650855 // Code repository

    Poster presented at the GPU Technology Conference, GTC13, published on figshare under CC-BY.

  • "Lift and drag coefficient versus angle of attack for a flying snake cross-section", Anush Krishnan, John J. Socha, Pavlos V. Vlachos, L. A. Barba. (May 2013). 10.6084/m9.figshare.705883 // Preprint arXiv:1309.2969 //

    Data set, plots in PDF and plotting script.

  • "Body cross-section of the flying snake Chrysopelea paradisi", Anush Krishnan, John J. Socha, Pavlos V. Vlachos, L. A. Barba. (May 2013). 10.6084/m9.figshare.705877 // Preprint arXiv:1309.2969

    Data set, plot and plotting script.

  • "Convergence of PyGBE with Kirkwood sphere", Christopher D. Cooper, Jaydeep P. Bardhan, L. A. Barba. (September 2013). 10.6084/m9.figshare.799692 // Preprint arXiv:1309.4018

    File bundle including data, figures and plotting scripts of convergence results for PyGBe and APBS using a spherical molecule. On figshare under CC-BY.

  • "Convergence and time to solution of PyGBe with lysozyme molecule", Christopher D. Cooper, Jaydeep P. Bardhan, L. A. Barba, . (September 2013). 10.6084/m9.figshare.799702 // Preprint arXiv:1309.4018

    File bundle including data, figures and plotting scripts of convergence and time-to-solution versus error for PyGBe and APBS using a lysozyme molecule. On figshare under CC-BY.

  • "Binding energy of trypsin-BPTI complex with PyGBe and APBS", Christopher D. Cooper, Jaydeep P. Bardhan, L. A. Barba. (September 2013). 10.6084/m9.figshare.799703 // Preprint arXiv:1309.4018

    File bundle including data, figures and plotting scripts of solvation energy and binding energy calculations for trypsin-BPTI complex using PyGBe and APBS. On figshare under CC-BY.

  • "Binding energy of peptide-RNA complex with PyGBe and APBS", Christopher D. Cooper, Jaydeep P. Bardhan, L. A. Barba. (September 2013). 10.6084/m9.figshare.799704 // Preprint arXiv:1309.4018

    File bundle including data, figures and plotting scripts of solvation energy and binding energy calculations for peptide-RNA complex using PyGBe and APBS. On figshare under CC-BY.

  • "How will the fast multipole method fare in the exascale era?", Lorena A. Barba, Rio Yokota. SIAM News, 46(6):1 (July 2013), Society of Industrial and Applied Mathematics. // SIAM News link
  • "Proposal: Just-in-time Interactive Online Modules for Applied Engineering Computing", Lorena A. Barba, Adam M. Wickenheiser. (December 2013). 10.6084/m9.figshare.870513

    This proposal was funded by internal peer-reviewed competition in November 2013.Grants for High-Impact Teaching and Learning Practices,  The Office of Teaching & Learning, George Washington University.

  • "GPU@BU—GPU computing at Boston University", L. A. Barba. (29 November 2012). 10.6084/m9.figshare.98875

    A short history of GPU computing at Boston University, made into a handout for the BU booth at the Supercomputing Conference, Salt Lake City, November 2012. Published on figshare under CC-BY.

  • "Hierarchical N-body simulations with auto-tuning for heterogeneous systems", Rio Yokota, L. A. Barba. Computing in Science and Engineering (CiSE), 14(3):30–39 (May/June 2012). 10.1109/MCSE.2012.1 // Preprint arXiv:1108.5815

    IEEE Computer Society (online 3 Jan. 2012)

  • "A tuned and scalable fast multipole method as a preeminent algorithm for exascale systems", Rio Yokota, L. A. Barba. Int. J. High-Perf. Comput., 26(4):337–346 (November 2012). 10.1177/1094342011429952 // Preprint arXiv:1106.2176 // Journal website

    Published online 24 Jan. 2012

  • Invited: "Protein electrostatics on a desktop using GPU hardware and multipole algorithms", L. A. Barba. The Society for Mathematical Biology Annual Meeting and Conference (25–28 July 2012), Knoxville, TN.

    minisymposium on “Electrostatics: numerical algorithms and biological applications”, organized by Yongcheng Zhou (Colorado State University) and Weihua Geng (University of Alabama)

  • "Efficient boundary element method on Python using GPUs", Christopher D. Cooper, L. A. Barba. World Congress on Computational Mechanics (WCCM) (8–13 July 2012), Sao Paulo, Brazil.
  • "Projection-based immersed boundary method in CUDA", Anush Krishnan, L. A. Barba. World Congress on Computational Mechanics (WCCM) (8–13 July 2012), Sao Paulo, Brazil.
  • "Aerodynamics of flying snakes using an immersed boundary method", Anush Krishnan, L. A. Barba. 24th International Conference on Parallel Computational Fluid Dynamics, ParCFD’12 (21–25 May 2012).
  • Invited: "The success of multipole methods: Are we there yet?", L. A. Barba. Scalable Hierarchical Algorithms for eXtreme Computing (SHAX-C) organized by King Abdullah University of Science and Technology (KAUST) (28-30 April 2012), Thuwal, Saudi Arabia.
  • Invited: "The success of multipole methods: Are we there yet?", L. A. Barba. New England Numerical Analysis Day (NENAD) organized by University of Massachusetts (21 April 2012), Amherst, MA.
  • "Digital Pedagogy in Three Parts: Screencasting, Course Blog, Remote Guests", L. A. Barba. BU CEIT 4th Annual Instructional Innovation Conference organized by Boston University (2 August 2012), Boston, MA. 10.6084/m9.figshare.94016 // Screencast of the talk on You Tube

    Presentation at BU’s Fourth Annual Instructional Innovation Conference, March 1st, 2012. Published 02 Aug 2012 on figshare under CC-BY.

  • Invited: "Hierarchical N-body algorithms: A pattern likely to lead at extreme scales", L. A. Barba. ICERM workshop on Synchronization-reducing Algorithms and Programming Models for Large-Scale Simulations organized by Brown University (9–13 January 2012), Providence, RI. // Streaming video
  • "Validation of the cuIBM code for Navier-Stokes equations with immersed boundary methods", Anush Krishnan, L. A. Barba. (6 July 2012). 10.6084/m9.figshare.92789 // Code repository

    Technical report published on figshare under CC-BY-NC.

  • "Weak scaling of parallel FMM vs. FFT up to 4096 processes", Rio Yokota, L. A. Barba. (18 June 2012). 10.6084/m9.figshare.92425 // exaFMM webpage

    Figure, data and plotting script published on figshare under CC-BY

  • "ExaFMM: An open source library for Fast Multipole Methods", L. A. Barba, Rio Yokota. (18 June 2012). 10.6084/m9.figshare.92426

    Trifold brochure, distributed with the exaFMM poster, published on figshare under CC-BY

  • "ExaFMM: An open source library for Fast Multipole Methods aimed towards Exascale systems", L. A. Barba, Rio Yokota. (31 May 2012). 10.6084/m9.figshare.92166

    Poster, published on figshare under CC-BY

  • "Illustration of the flow of an FMM calculation (fast multipole method)", Rio Yokota, L. A. Barba. (17 Mar 2012). 10.6084/m9.figshare.91441

    Figure published on figshare under CC-BY

  • "Hierarchical subdivision of space in FMM (fast multipole method)", Rio Yokota, L. A. Barba. (17 March 2012). 10.6084/m9.figshare.91440

    Figure published on figshare under CC-BY

  • "Digital inking and lecture screencasts", L. A. Barba. 1st Annual Instructional Innovation Conference organized by Center for Excellence and Innovation in Teaching, Boston University (12 October 2012), Boston, MA. 10.6084/m9.figshare.94015

    Presentation at BU’s First Annual Instructional Innovation Conference, held March 27, 2009. Published on figshare under CC-BY

  • "Reproducibility PI Manifesto", L. A. Barba. (13 December 2012). 10.6084/m9.figshare.104539

    Presentation for a talk given at the ICERM workshop “Reproducibility in Computational and Experimental Mathematics”. Published on figshare under CC-BY.

  • "Open, Blended, Flipped, Social—courses in Mechanical Engineering", L.A. Barba. (12 October 2012). 10.6084/m9.figshare.96414

    Poster presented at the NAE Frontiers of Engineering Education Symposium, and uploaded to figshare under CC-BY.

  • "Application for the NAE Frontiers of Engineering Education Symposium 2012", L. A. Barba. (12 October 2012). 10.6084/m9.figshare.96413

    Application essay for the NAE FOEE symposium, submitted July 2012. Published on figshare under CC-BY.

  • "Scalable Fast Multipole Methods for Vortex Element Methods", Qi Hu, Nail A. Gumerov, Rio Yokota, Lorena Barba, Ramani Duraiswami. The International Conference for High-Performance Computing, Networking, Storage and Analysis organized by ACM (Nov. 10–16 2012), Salt Lake City, Utah.. 10.1109/SC.Companion.2012.221 // IEEE Explore (Abstract)

    Supercomputing Conference SC12

  • "How to obtain efficient GPU kernels: an illustration using FMM & FGT", Felipe A. Cruz, Simon K. Layton, L. A. Barba. Comput. Phys. Commun., 182(10):2084–2098 (October 2011). 10.1016/j.cpc.2011.05.002 // Preprint arXiv:1009.3457
  • "Biomolecular electrostatics using a fast multipole BEM on up to 512 GPUs and a billion unknowns", Rio Yokota, J. P. Bardhan, M. G. Knepley, L. A. Barba, T. Hamada. Comput. Phys. Commun., 182(6):1271–1283 (June 2011). 10.1016/j.cpc.2011.02.013 // Preprint arXiv:1007.4591
  • "Comparing the treecode with FMM on GPUs for vortex particle simulations of a leapfrogging vortex ring", Rio Yokota, L. A. Barba. Computers & Fluids, 45(1):155–161 (June 2011). 10.1016/j.compfluid.2010.11.029
  • "Treecode and fast multipole method for N-body simulation with CUDA", Rio Yokota, L. A. Barba. (2011). 10.1016/B978-0-12-384988-5.00009-7 // Preprint arXiv:1010.1482

    Ch. 9 in GPU Computing Gems Emerald Edition, Wen-mei Hwu, ed.; Morgan Kaufmann/Elsevier (2011) pp. 113–132. ISBN: 978-0-12-384988-5

  • "Parameter tuning of a hybrid treecode-FMM on GPUs", Rio Yokota, L. A. Barba. (31 May–4 June 2011).

    In CACHES’11: Characterizing Applications for Heterogeneous Exascale Systems, at the 25th International Conference on Supercomputing (ACM/SIGARCH), Tucson, Arizona

  • "Fast multipole method vs. spectral methods for the simulation of isotropic turbulence on GPUs", Rio Yokota, L. A. Barba. 23rd International Conference on Parallel Computational Fluid Dynamics, ParCFD’11 (16–20 May 2011), Barcelona, Spain.
  • "cuIBM—A GPU accelerated immersed boundary method", Simon K. Layton, Anush Krishnan, L. A. Barba. 23rd International Conference on Parallel Computational Fluid Dynamics, ParCFD’11 (16–20 May 2011), Barcelona, Spain. // Code repository //
  • Invited: "Dare to think about exascale CFD — a research agenda", L. A. Barba. 23rd International Conference on Parallel Computational Fluid Dynamics, ParCFD’11 (16–20 May 2011), Barcelona, Spain.

    Plenary lecture

  • Invited: "The basis and perspectives of an exascale algorithm: our ExaFMM project", L. A. Barba. Workshop on Manycore and Accelerator-based High-performance Scientific Computing organized by International Center for Computational Science (ICCS), UC Berkeley (26–28 January 2011), Berkeley, CA.
  • Invited: "The basis and perspectives of an exascale algorithm: our ExaFMM project", L. A. Barba. IMA workshop on High-performance Computing and Emerging Architectures organized by University of Minnesota (10–14 January 2011). // Slides and video on the IMA site
  • "PetFMM–A dynamically load-balancing parallel fast multipole library", Felipe A. Cruz, Matthew G. Knepley, L. A. Barba. Int. J. Num. Meth. Eng., 85(4):403–428 (January 2011). 10.1002/nme.2972 // Preprint arXiv:0905.2637
  • "PetRBF—A parallel O(N) algorithm for radial basis function interpolation", Rio Yokota, L. A. Barba, Matthew G. Knepley. Comput. Meth. Appl. Mech. Eng., 199(25–28):1793–1804 (May 2010). 10.1016/j.cma.2010.02.008 // Preprint arXiv:0909.5413
  • "Parallel and meshfree: new frontiers of CFD", L. A. Barba. (April 2010).

    In Parallel Computational Fluid Dynamics: Recent Advances and Future Directions, Rupak Biswas, ed., DEStech Publications, Inc. ISBN: 978-1-60595-022-8

  • Invited: "The triad of extreme computing—fast algorithms, open software and heterogeneous systems", L. A. Barba. GPU Technology Conference organized by NVIDIA (20–23 September 2010), San Jose, CA.
  • "Performance of the fast multipole method on GPUs using various kernels", Rio Yokota, L. A. Barba. World Congress on Computational Mechanics WCCM (19–23 July 2010), Sydney, Australia.
  • "Heterogeneous extension of PetFMM: a fast multipole library", Felipe A. Cruz, L. A. Barba, Matthew G. Knepley. World Congress on Computational Mechanics WCCM (19–23 July 2010), Sydney, Australia.
  • "Heterogeneous FMM acceleration for hybrid finite difference/vortex method simulations", Felipe A. Cruz, L. A. Barba. 22nd International Conference on Parallel Computational Fluid Dynamics (17–21 May 2010), Kaohsiung, Taiwan.
  • "Comparing the treecode with FMM on GPUs for vortex particle simulations of leapfrogging vortex rings", Rio Yokota, L. A. Barba. 22nd International Conference on Parallel Computational Fluid Dynamics (17–21 May 2010), Kaohsiung, Taiwan.
  • Invited: "Of all the gaps and walls of parallel computing, how do we bridge the skills gap?", L. A. Barba. Accelerated Computing Conference organized by Riken Advanced Science Institute and Nvidia Japan (28–29 January 2010), Roppongi, Tokyo.
  • "GPU-accelerated fast multipole BEM with applications in protein electrostatics", Rio Yokota, L. A. Barba. (November 2010).

    Boston University booth at Supercomputing’10, New Orleans, LA

  • "Multiplying the speed-ups: GPU-accelerated, fast multipole BEM, for applications in protein electrostatics", L. A. Barba, Rio Yokota, J. P. Bardhan, M. G. Knepley. GPU Technology Conference (20–24 September 2010), San Jose, CA.
  • "Rigorous approximation of continuum electrostatics: the impact of fast algorithms and GPU computing", J. P. Bardhan, Rio Yokota, M. G. Knepley, L. A. Barba. 24th Symposium of the Protein Society (1–5 August 2010), San Diego, CA.

    (Abstract number 437)

  • "Global field interpolation for particle methods", L. A. Barba, Louis F. Rossi. J. Comput. Phys., 229(4):1292–1310 (February 2009). 10.1016/j.jcp.2009.10.031
  • "Fast radial basis function interpolation with Gaussians by localization and iteration", Claudio E. Torres, L. A. Barba. J. Comput. Phys., 228(14):4976–4999 (August 2009). 10.1016/j.jcp.2009.03.007
  • "Characterization of the accuracy of the fast multipole method in particle simulations", Felipe A. Cruz, L. A. Barba. Int. J. Num. Meth. Engrg., 79(13):1577–1604 (May 2009). 10.1002/nme.2611 // Preprint arXiv:0809.1810
  • "Panel-free boundary conditions for viscous vortex methods", Christopher D. Cooper, L. A. Barba. 19th AIAA Computational Fluid Dynamics Conference (22–25 June 2009), San Antonio, Texas. // CooperBarbaAIAA-2009-3546

    Paper AIAA 2009-3546

  • Invited: "Fast summation algorithms maximizing performance on GPU architectures", L. A. Barba. NSF-NAIS Workshop on Intelligent Software organized by University of Edinburgh (19–21 October 2009), Scotland.
  • "Parallel fast Gauss transform in a heterogeneous computing environment", Simon K. Layton, Felipe A. Cruz, L. A. Barba. 10th National Congress on Computational Mechanics USNCCM10 (16–19 July 2009), Columbus, Ohio.
  • "Parallelization of algorithms for heterogeneous computing systems with application to fast summation methods", Felipe A. Cruz, L. A. Barba. 10th National Congress on Computational Mechanics USNCCM10 (16–19 July 2009), Columbus, Ohio.
  • Invited: "Parallel and meshfree: new frontiers of CFD", L. A. Barba. 21st International Conference on Parallel Computational Fluid Dynamics (8–22 May 2009), Moffett Field, California.
  • "Parallel implementation of panel-free boundary conditions for the vortex particle method", Felipe A. Cruz, Christopher D. Cooper, Rio Yokota, L. A. Barba. 21st International Conference on Parallel Computational Fluid Dynamics (18–22 May 2009), Moffett Field, California.
  • "PetRBF—A parallel O(N) algorithm for radial basis function interpolation", Rio Yokota, L. A. Barba, Matthew G. Knepley. (November 2009).

    Boston University booth at Supercomputing’09, Portland, OR

  • "Accurate solution of global field interpolations for particle simulations", L. A. Barba, L. F. Rossi. 8th World Congress on Computational Mechanics, WCCM8, and 5th European Congress on Computational Methods in Applied Sciences and Engineering, ECCOMAS (30 June–4 July 2008), Venice, Italy.
  • "Characterisation of the FMM approximation in particle simulations", Felipe A. Cruz, L. A. Barba. 8th World Congress on Computational Mechanics, WCCM8, and 5th European Congress on Computational Methods in Applied Sciences and Engineering, ECCOMAS (30 June–4 July 2008), Venice, Italy.
  • "Fast multipole method for particle interactions: an open source parallel library component", Felipe A. Cruz, L. A. Barba, Matthew G. Knepley. 20th International Conference on Parallel Computational Fluid Dynamics (19–22 May 2008), Lyon, France. // ParCFD website

    Extended paper published in Lecture Notes in Computational Science and Engineering, D. Tromeur-Dervout, G. Brenner, D.R. Emerson, J. Erhel (eds.), Springer, 2011.

  • "Emergence and evolution of tripole vortices from net-circulation initial conditions", L. A. Barba, A. Leonard. Phys. Fluids, 19:017101 (January 2007). 10.1063/1.2409734
  • "Spectral-like accuracy in space of a meshless vortex method", L. A. Barba. (2007). 10.1007/978-1-4020-6095-3_10

    In C J S Alves, C A Duarte, V M A Leitao, editors, Advances in Meshfree Techniques, volume 5 of Computational Methods in Applied Sciences, pp.187–197. Springer-Verlag

  • "Eulerian versus Lagrangian flow geometry for analysis of vortex structures", L. A. Barba. EUROMECH 491 Vortex Dynamics from Quantum to Geophysical scales organized by University of Exeter (September 2007), Exeter, UK.
  • "Meshless simulation of Navier-Stokes equations with high-order and spatially adaptive basis functions", L. A. Barba, L. F. Rossi. 9th US National Congress on Computational Mechanics (July 2007), San Francisco, CA.
  • "Non-shielded multipolar vortices at high Reynolds number", L. A. Barba. Phys. Rev. E, 73:065303(R) (June 2006). 10.1103/PhysRevE.73.065303
  • "Discussion: Three-dimensional vortex method for gas-particle two-phase compound round jet (T Uchiyama, A Fukase, J. Fluids Eng., 127:31–40, 2005)", L. A. Barba. J. Fluids Eng., 128:643–645 (May 2006). 10.1115/1.2175173
  • "Lagrangian flow geometry of tripolar vortex", L. A. Barba, O. U. Velasco Fuentes. IUTAM Symposium on Hamiltonian Dynamics, Vortex Structures and Turbulence (August 2006), Moscow. 10.1007/978-1-4020-6744-0_21 // IUTAM Book Series, vol. 6, 2008 // PDF

    Editors: Alexey V Borisov, Valery V Kozlov, Ivan S Mamaev, and Mikhail A Sokolovskiy; pp.247–256. Springer Netherlands.

  • "Advances in viscous vortex methods—meshless spatial adaption based on radial basis function interpolation", L. A. Barba, A. Leonard, C. B. Allen. Int. J. Num. Meth. Fluids, 47(5):387–421 (February 2005). 10.1002/fld.811
  • "Vortex method with meshless spatial adaption for accurate simulation of viscous, unsteady vortical flows", L. A. Barba, A. Leonard, C. B. Allen. Int. J. Num. Meth. Fluids, 47(8–9):841–848 (March 2005). 10.1002/fld.842
  • "Computing high-Reynolds number vortical flows: a highly accurate method with a fully meshless formulation", L. A. Barba. (2005).

    In G Winger, A Ecer, J Periaux, N Satofuka and P Fox, editors, Parallel Computational Fluid Dynamics—Multidisciplinary Applications, pp.305–312. Elsevier B V

  • "Emergence of tripoles in nonlinearly perturbed planar vortices", L. A. Barba. International Conference on High Reynolds number vortex interactions (August 2005), Toulouse, France.
  • "Spectral-like accuracy in space of a meshless vortex method", L. A. Barba. ECCOMAS Thematic Conference on Meshless Methods (11–14 July 2005), Lisbon, Portugal.
  • "Numerical simulation of strained vortices with parallel vortex method", L. A. Barba. 17th International Conference on Parallel Computational Fluid Dynamics organized by University of Maryland (24–27 May 2005), College Park, MD.
  • "Vortex method with fully meshless implementation for high-Reynolds number flow computations", L. A. Barba, A. Leonard, C. B. Allen. (24–28 July 2004).

    In ECCOMAS 2004, Fourth European Congress on Computational Methods in Applied Sciences and Engineering, Jyvaskyla, Finland

  • "Numerical studies of relaxing 2D vortices with non-axisymmetric states", L. A. Barba, A. Leonard. EUROMECH 448 Vortex Dynamics and Field Interactions (6–10 September 2004), Paris, France.
  • "Computation of viscous vortices with fully meshless method", L. A. Barba, A. Leonard. 21st ICTAM, International Congress of Theoretical and Applied Mechanics (15–21 August 2004), Warsaw, Poland.
  • "Computing high-Reynolds number vortical flows: a highly accurate method with a fully meshless formulation", L. A. Barba. 16th International Conference on Parallel CFD, (24–27 May 2004), Las Palmas de Gran Canaria, Spain.
  • "Vortex method with meshless spatial adaption for accurate simulation of viscous, unsteady vortical flows", L. A. Barba, A. Leonard, C. B. Allen. ICFD Conference on Numerical Methods for Fluid Dynamics (29 March–1 April 2004), Oxford, United Kingdom.
  • "Numerical investigations on the accuracy of the vortex method with and without remeshing", L. A. Barba, A. Leonard, C. B. Allen. (June 2003).

    AIAA 2003-3426, 16th AIAA Computational Fluid Dynamics Conference, Orlando, FL

Refereed Journal Articles

Book Chapters

  • "Achieving Full Replication of our Own Published CFD Results, with Four Different Codes", Olivier Mesnard, Lorena A. Barba. (2017). // online chapter // publisher webpage

    In The Practice of Reproducible Research: Case Studies and Lessons from the Data-Intensive Sciences, Justin Kitzes, Daniel Turek, Fatma Deniz (Eds.), California University Press. ISBN 9780520294752.

  • "Treecode and fast multipole method for N-body simulation with CUDA", Rio Yokota, L. A. Barba. (2011). 10.1016/B978-0-12-384988-5.00009-7 // Preprint arXiv:1010.1482

    Ch. 9 in GPU Computing Gems Emerald Edition, Wen-mei Hwu, ed.; Morgan Kaufmann/Elsevier (2011) pp. 113–132. ISBN: 978-0-12-384988-5

Refereed Conference Papers

  • "Experience report of physics-informed neural networks in fluid simulations: pitfalls and frustration", Pi-Yueh Chuang, Lorena A. Barba. Proceedings of the 21st Python in Science Conference (SciPy 202) (July 2022), Austin, TX. 10.25080/majora-212e5952-005 // Preprint arXiv:2205.14249 // Abstract and link to PDF
  • "Finding the Force—Consistent Particle Seeding for Satellite Aerodynamics", J. Brent Parham, L. A. Barba. AIAA Modeling and Simulation Technologies Conference organized by American Institute of Aeronautics and Astronautics (January 2014), National Harbor, Maryland.. 10.2514/6.2014-1492 // Preprint arXiv:1312.3691 // Aerospace Research Central

    AIAA paper, revised manuscript submitted in December 2013.

  • "Parameter tuning of a hybrid treecode-FMM on GPUs", Rio Yokota, L. A. Barba. (31 May–4 June 2011).

    In CACHES’11: Characterizing Applications for Heterogeneous Exascale Systems, at the 25th International Conference on Supercomputing (ACM/SIGARCH), Tucson, Arizona

  • "Parallel and meshfree: new frontiers of CFD", L. A. Barba. (April 2010).

    In Parallel Computational Fluid Dynamics: Recent Advances and Future Directions, Rupak Biswas, ed., DEStech Publications, Inc. ISBN: 978-1-60595-022-8

  • "Panel-free boundary conditions for viscous vortex methods", Christopher D. Cooper, L. A. Barba. 19th AIAA Computational Fluid Dynamics Conference (22–25 June 2009), San Antonio, Texas. // CooperBarbaAIAA-2009-3546

    Paper AIAA 2009-3546

  • "Spectral-like accuracy in space of a meshless vortex method", L. A. Barba. (2007). 10.1007/978-1-4020-6095-3_10

    In C J S Alves, C A Duarte, V M A Leitao, editors, Advances in Meshfree Techniques, volume 5 of Computational Methods in Applied Sciences, pp.187–197. Springer-Verlag

  • "Lagrangian flow geometry of tripolar vortex", L. A. Barba, O. U. Velasco Fuentes. IUTAM Symposium on Hamiltonian Dynamics, Vortex Structures and Turbulence (August 2006), Moscow. 10.1007/978-1-4020-6744-0_21 // IUTAM Book Series, vol. 6, 2008 // PDF

    Editors: Alexey V Borisov, Valery V Kozlov, Ivan S Mamaev, and Mikhail A Sokolovskiy; pp.247–256. Springer Netherlands.

  • "Computing high-Reynolds number vortical flows: a highly accurate method with a fully meshless formulation", L. A. Barba. (2005).

    In G Winger, A Ecer, J Periaux, N Satofuka and P Fox, editors, Parallel Computational Fluid Dynamics—Multidisciplinary Applications, pp.305–312. Elsevier B V

  • "Vortex method with fully meshless implementation for high-Reynolds number flow computations", L. A. Barba, A. Leonard, C. B. Allen. (24–28 July 2004).

    In ECCOMAS 2004, Fourth European Congress on Computational Methods in Applied Sciences and Engineering, Jyvaskyla, Finland

  • "Numerical investigations on the accuracy of the vortex method with and without remeshing", L. A. Barba, A. Leonard, C. B. Allen. (June 2003).

    AIAA 2003-3426, 16th AIAA Computational Fluid Dynamics Conference, Orlando, FL

Open Research

  • "Predictive Limitations of Physics-Informed Neural Networks in Vortex Shedding", Pi-Yueh Chuang, Lorena A. Barba. (May 2023). Preprint arXiv:2306.00230
  • "High-productivity, high-performance workflow for virus-scale electrostatic simulations with Bempp-Exafmm", Tingyu Wang, Christopher D. Cooper, Timo Betcke, Lorena A. Barba. (March 2021). Preprint arXiv:2103.01048 // manuscript repository // archive: meshes and pqr files // archive: manuscript and repro-pack
  • "High-productivity, high-performance workflow for virus-scale electrostatic simulations with Bempp-Exafmm (meshes and pqr files)", Tingyu Wang, Christopher D. Cooper, Timo Betcke, Lorena A. Barba. (2021). 10.5281/zenodo.4568768

    Reproducibility package.

  • "High-productivity, high-performance workflow for virus-scale electrostatic simulations with Bempp-Exafmm (manuscript and repro-pack)", Tingyu Wang, Christopher D. Cooper, Timo Betcke, Lorena A. Barba. (2021). 10.5281/zenodo.4568951

    Archive of the manuscript GitHub repository, upon submission of the paper.

  • "PyGBe-LSPR—Computational nanoplasmonics for biosensing applications (reproducibility packages)", Natalia C. Clementi, Christopher D. Cooper, Lorena A. Barba. (2019). 10.6084/m9.figshare.c.4346156

    Figshare collection.

  • "PyGBe-LSPR—Computational nanoplasmonics for biosensing applications (execution files)", Natalia C. Clementi, Christopher D. Cooper, Lorena A. Barba. (2019). 10.5281/zenodo.2513715

    Zenodo archive.

  • "PyGBe-LSPR—Computational nanoplasmonics for biosensing applications (problem datasets)", Natalia C. Clementi, Christopher D. Cooper, Lorena A. Barba. (2019). 10.5281/zenodo.2511600

    Zenodo archive.

  • "Cloud-Repro: Reproducible Workflow on a Public Cloud for Computational Fluid Dynamics", Olivier Mesnard, Lorena A. Barba. (2019). 10.5281/zenodo.3374865

    Zenodo archive: secondary data required to reproduce the figures of the manuscript “Reproducible Workflow on a Public Cloud for Computational Fluid Dynamics” without running the CFD simulations again.

  • "Terminologies for Reproducible Research", Lorena A. Barba. (February 2018). Preprint arXiv:1802.03311
  • "PyGBe-LSPR—Computational nanoplasmonics for biosensing applications (reproducibility packages)", Natalia C. Clementi, Christopher D. Cooper, Lorena A. Barba. (December 2018). 10.6084/m9.figshare.c.4346156

    Repro-packs for the paper: “Computational nanoplasmonics in the quasistatic limit for biosensing applications,” Phys. Rev. E. Includes all the necessary information to reproduce the figures of the paper.

  • "Using AmgX to Accelerate PETSc-Based CFD Codes", Pi-Yueh Chuang, Lorena A. Barba. (2017). 10.6084/m9.figshare.5018774.v1 // nbviewer // code

    Jupyter notebook, supplementary material for a talk at the 2016 GPU Technology Conference, on Thu. April 7th: session S6355. On figshare under CC-BY.

  • "PyGBe on Localized Surface Plasmon Resonance (LSPR)", Natalia C. Clementi, Christopher D. Cooper, Gilbert Forsyth, Lorena A. Barba. (May 2017). 10.6084/m9.figshare.4983311.v3 // nbviewer // code

    Jupyter notebook, preliminary results. On figshare under CC-BY.

  • "Grid convergence of PyGBe with a spherical molecule near spherical surface", Christopher D. Cooper, Lorena A. Barba. (March 2015). 10.6084/m9.figshare.1348841.v4 // Paper containing figure

    Reproducibility package including data, running script, plotting script, and figure of grid-convergence study using two spheres, one with prescribed potential. On figshare under CC-BY.

  • "Grid convergence of PyGBe with protein G B1 D4'", Christopher D. Cooper, Lorena A. Barba. (March 2015). 10.6084/m9.figshare.1348803.v10 // Paper containing figure

    Reproducibility package including data, running script, plotting script and figure(s). On figshare under CC-BY.

  • "Protein orientation near a charged surface using PyGBe and protein G B1 D4'", Christopher D. Cooper, Lorena A. Barba. (March 2015). https://dx.doi.org/10.6084/m9.figshare.1348804.v6 // Paper containing figure(s)

    Reproducibility package including data, running script, plotting script and figure. On figshare under CC-BY.

  • "Grid convergence of PyGBe with immunoglobulin G near a charged surface", Christopher D. Cooper, Lorena A. Barba. (March 2015). 10.6084/m9.figshare.1348801.v8 // Paper containing figure

    Reproducibility package including data, running script, plotting script and figure. On figshare under CC-BY.

  • "Protein orientation near charged surface using PyGBe with immunoglobulin G", Christopher D. Cooper, Lorena A. Barba. (March 2015). 10.6084/m9.figshare.1348802.v8 // Paper containing figure(s)

    Reproducibility package including data, running script, plotting script and figure. On figshare under CC-BY.

  • "AeroPython", Lorena A. Barba, Olivier Mesnard. (April 2014). 10.6084/m9.figshare.1004727 // Code repository

    Set of 11 lessons in classical Aerodynamics on IPython Notebooks.

  • "Proposal: A multi-campus, blended, connected course + MOOC", L. A. Barba. (July 2014). 10.6084/m9.figshare.1124190 // Course announcement
  • "Validation of the PyGBe code for Poisson-Boltzmann equation with boundary element methods", Christopher D. Cooper, L. A. Barba. (25 January 2013). 10.6084/m9.figshare.154331 // Code repository

    Technical Report published on figshare under CC-BY-NC-SA.

  • "Everybody's Flippin' —An update on the flipped classroom", L. A. Barba. (17 February 2013). 10.6084/m9.figshare.157200 // Blog post

    Full-length video (screencast) from the talk, published on figshare under CC-BY

  • "Flying snake wake visualizations with cuIBM", Anush Krishnan, L. A. Barba. (19 February 2013). 10.6084/m9.figshare.157334

    Video published on figshare under CC-BY.

  • "PyGBe: Python on the surface, GPUs at the heart. BEM solver for Electrostatics of Biomolecules", Christopher D. Cooper, L. A. Barba. (13 March 2013). 10.6084/m9.figshare.650855 // Code repository

    Poster presented at the GPU Technology Conference, GTC13, published on figshare under CC-BY.

  • "Lift and drag coefficient versus angle of attack for a flying snake cross-section", Anush Krishnan, John J. Socha, Pavlos V. Vlachos, L. A. Barba. (May 2013). 10.6084/m9.figshare.705883 // Preprint arXiv:1309.2969 //

    Data set, plots in PDF and plotting script.

  • "Body cross-section of the flying snake Chrysopelea paradisi", Anush Krishnan, John J. Socha, Pavlos V. Vlachos, L. A. Barba. (May 2013). 10.6084/m9.figshare.705877 // Preprint arXiv:1309.2969

    Data set, plot and plotting script.

  • "Convergence of PyGBE with Kirkwood sphere", Christopher D. Cooper, Jaydeep P. Bardhan, L. A. Barba. (September 2013). 10.6084/m9.figshare.799692 // Preprint arXiv:1309.4018

    File bundle including data, figures and plotting scripts of convergence results for PyGBe and APBS using a spherical molecule. On figshare under CC-BY.

  • "Convergence and time to solution of PyGBe with lysozyme molecule", Christopher D. Cooper, Jaydeep P. Bardhan, L. A. Barba, . (September 2013). 10.6084/m9.figshare.799702 // Preprint arXiv:1309.4018

    File bundle including data, figures and plotting scripts of convergence and time-to-solution versus error for PyGBe and APBS using a lysozyme molecule. On figshare under CC-BY.

  • "Binding energy of trypsin-BPTI complex with PyGBe and APBS", Christopher D. Cooper, Jaydeep P. Bardhan, L. A. Barba. (September 2013). 10.6084/m9.figshare.799703 // Preprint arXiv:1309.4018

    File bundle including data, figures and plotting scripts of solvation energy and binding energy calculations for trypsin-BPTI complex using PyGBe and APBS. On figshare under CC-BY.

  • "Binding energy of peptide-RNA complex with PyGBe and APBS", Christopher D. Cooper, Jaydeep P. Bardhan, L. A. Barba. (September 2013). 10.6084/m9.figshare.799704 // Preprint arXiv:1309.4018

    File bundle including data, figures and plotting scripts of solvation energy and binding energy calculations for peptide-RNA complex using PyGBe and APBS. On figshare under CC-BY.

  • "Proposal: Just-in-time Interactive Online Modules for Applied Engineering Computing", Lorena A. Barba, Adam M. Wickenheiser. (December 2013). 10.6084/m9.figshare.870513

    This proposal was funded by internal peer-reviewed competition in November 2013.Grants for High-Impact Teaching and Learning Practices,  The Office of Teaching & Learning, George Washington University.

  • "GPU@BU—GPU computing at Boston University", L. A. Barba. (29 November 2012). 10.6084/m9.figshare.98875

    A short history of GPU computing at Boston University, made into a handout for the BU booth at the Supercomputing Conference, Salt Lake City, November 2012. Published on figshare under CC-BY.

  • "Digital Pedagogy in Three Parts: Screencasting, Course Blog, Remote Guests", L. A. Barba. BU CEIT 4th Annual Instructional Innovation Conference organized by Boston University (2 August 2012), Boston, MA. 10.6084/m9.figshare.94016 // Screencast of the talk on You Tube

    Presentation at BU’s Fourth Annual Instructional Innovation Conference, March 1st, 2012. Published 02 Aug 2012 on figshare under CC-BY.

  • "Validation of the cuIBM code for Navier-Stokes equations with immersed boundary methods", Anush Krishnan, L. A. Barba. (6 July 2012). 10.6084/m9.figshare.92789 // Code repository

    Technical report published on figshare under CC-BY-NC.

  • "Weak scaling of parallel FMM vs. FFT up to 4096 processes", Rio Yokota, L. A. Barba. (18 June 2012). 10.6084/m9.figshare.92425 // exaFMM webpage

    Figure, data and plotting script published on figshare under CC-BY

  • "ExaFMM: An open source library for Fast Multipole Methods", L. A. Barba, Rio Yokota. (18 June 2012). 10.6084/m9.figshare.92426

    Trifold brochure, distributed with the exaFMM poster, published on figshare under CC-BY

  • "ExaFMM: An open source library for Fast Multipole Methods aimed towards Exascale systems", L. A. Barba, Rio Yokota. (31 May 2012). 10.6084/m9.figshare.92166

    Poster, published on figshare under CC-BY

  • "Illustration of the flow of an FMM calculation (fast multipole method)", Rio Yokota, L. A. Barba. (17 Mar 2012). 10.6084/m9.figshare.91441

    Figure published on figshare under CC-BY

  • "Hierarchical subdivision of space in FMM (fast multipole method)", Rio Yokota, L. A. Barba. (17 March 2012). 10.6084/m9.figshare.91440

    Figure published on figshare under CC-BY

  • "Digital inking and lecture screencasts", L. A. Barba. 1st Annual Instructional Innovation Conference organized by Center for Excellence and Innovation in Teaching, Boston University (12 October 2012), Boston, MA. 10.6084/m9.figshare.94015

    Presentation at BU’s First Annual Instructional Innovation Conference, held March 27, 2009. Published on figshare under CC-BY

  • "Reproducibility PI Manifesto", L. A. Barba. (13 December 2012). 10.6084/m9.figshare.104539

    Presentation for a talk given at the ICERM workshop “Reproducibility in Computational and Experimental Mathematics”. Published on figshare under CC-BY.

  • "Open, Blended, Flipped, Social—courses in Mechanical Engineering", L.A. Barba. (12 October 2012). 10.6084/m9.figshare.96414

    Poster presented at the NAE Frontiers of Engineering Education Symposium, and uploaded to figshare under CC-BY.

  • "Application for the NAE Frontiers of Engineering Education Symposium 2012", L. A. Barba. (12 October 2012). 10.6084/m9.figshare.96413

    Application essay for the NAE FOEE symposium, submitted July 2012. Published on figshare under CC-BY.

Conference Presentations

  • Invited: "Protein electrostatics on a desktop using GPU hardware and multipole algorithms", L. A. Barba. The Society for Mathematical Biology Annual Meeting and Conference (25–28 July 2012), Knoxville, TN.

    minisymposium on “Electrostatics: numerical algorithms and biological applications”, organized by Yongcheng Zhou (Colorado State University) and Weihua Geng (University of Alabama)

  • "Efficient boundary element method on Python using GPUs", Christopher D. Cooper, L. A. Barba. World Congress on Computational Mechanics (WCCM) (8–13 July 2012), Sao Paulo, Brazil.
  • "Projection-based immersed boundary method in CUDA", Anush Krishnan, L. A. Barba. World Congress on Computational Mechanics (WCCM) (8–13 July 2012), Sao Paulo, Brazil.
  • "Aerodynamics of flying snakes using an immersed boundary method", Anush Krishnan, L. A. Barba. 24th International Conference on Parallel Computational Fluid Dynamics, ParCFD’12 (21–25 May 2012).
  • Invited: "The success of multipole methods: Are we there yet?", L. A. Barba. Scalable Hierarchical Algorithms for eXtreme Computing (SHAX-C) organized by King Abdullah University of Science and Technology (KAUST) (28-30 April 2012), Thuwal, Saudi Arabia.
  • Invited: "The success of multipole methods: Are we there yet?", L. A. Barba. New England Numerical Analysis Day (NENAD) organized by University of Massachusetts (21 April 2012), Amherst, MA.
  • Invited: "Hierarchical N-body algorithms: A pattern likely to lead at extreme scales", L. A. Barba. ICERM workshop on Synchronization-reducing Algorithms and Programming Models for Large-Scale Simulations organized by Brown University (9–13 January 2012), Providence, RI. // Streaming video
  • "Fast multipole method vs. spectral methods for the simulation of isotropic turbulence on GPUs", Rio Yokota, L. A. Barba. 23rd International Conference on Parallel Computational Fluid Dynamics, ParCFD’11 (16–20 May 2011), Barcelona, Spain.
  • "cuIBM—A GPU accelerated immersed boundary method", Simon K. Layton, Anush Krishnan, L. A. Barba. 23rd International Conference on Parallel Computational Fluid Dynamics, ParCFD’11 (16–20 May 2011), Barcelona, Spain. // Code repository //
  • Invited: "Dare to think about exascale CFD — a research agenda", L. A. Barba. 23rd International Conference on Parallel Computational Fluid Dynamics, ParCFD’11 (16–20 May 2011), Barcelona, Spain.

    Plenary lecture

  • Invited: "The basis and perspectives of an exascale algorithm: our ExaFMM project", L. A. Barba. Workshop on Manycore and Accelerator-based High-performance Scientific Computing organized by International Center for Computational Science (ICCS), UC Berkeley (26–28 January 2011), Berkeley, CA.
  • Invited: "The basis and perspectives of an exascale algorithm: our ExaFMM project", L. A. Barba. IMA workshop on High-performance Computing and Emerging Architectures organized by University of Minnesota (10–14 January 2011). // Slides and video on the IMA site
  • Invited: "The triad of extreme computing—fast algorithms, open software and heterogeneous systems", L. A. Barba. GPU Technology Conference organized by NVIDIA (20–23 September 2010), San Jose, CA.
  • "Performance of the fast multipole method on GPUs using various kernels", Rio Yokota, L. A. Barba. World Congress on Computational Mechanics WCCM (19–23 July 2010), Sydney, Australia.
  • "Heterogeneous extension of PetFMM: a fast multipole library", Felipe A. Cruz, L. A. Barba, Matthew G. Knepley. World Congress on Computational Mechanics WCCM (19–23 July 2010), Sydney, Australia.
  • "Heterogeneous FMM acceleration for hybrid finite difference/vortex method simulations", Felipe A. Cruz, L. A. Barba. 22nd International Conference on Parallel Computational Fluid Dynamics (17–21 May 2010), Kaohsiung, Taiwan.
  • "Comparing the treecode with FMM on GPUs for vortex particle simulations of leapfrogging vortex rings", Rio Yokota, L. A. Barba. 22nd International Conference on Parallel Computational Fluid Dynamics (17–21 May 2010), Kaohsiung, Taiwan.
  • Invited: "Of all the gaps and walls of parallel computing, how do we bridge the skills gap?", L. A. Barba. Accelerated Computing Conference organized by Riken Advanced Science Institute and Nvidia Japan (28–29 January 2010), Roppongi, Tokyo.
  • Invited: "Fast summation algorithms maximizing performance on GPU architectures", L. A. Barba. NSF-NAIS Workshop on Intelligent Software organized by University of Edinburgh (19–21 October 2009), Scotland.
  • "Parallel fast Gauss transform in a heterogeneous computing environment", Simon K. Layton, Felipe A. Cruz, L. A. Barba. 10th National Congress on Computational Mechanics USNCCM10 (16–19 July 2009), Columbus, Ohio.
  • "Parallelization of algorithms for heterogeneous computing systems with application to fast summation methods", Felipe A. Cruz, L. A. Barba. 10th National Congress on Computational Mechanics USNCCM10 (16–19 July 2009), Columbus, Ohio.
  • Invited: "Parallel and meshfree: new frontiers of CFD", L. A. Barba. 21st International Conference on Parallel Computational Fluid Dynamics (8–22 May 2009), Moffett Field, California.
  • "Parallel implementation of panel-free boundary conditions for the vortex particle method", Felipe A. Cruz, Christopher D. Cooper, Rio Yokota, L. A. Barba. 21st International Conference on Parallel Computational Fluid Dynamics (18–22 May 2009), Moffett Field, California.
  • "Accurate solution of global field interpolations for particle simulations", L. A. Barba, L. F. Rossi. 8th World Congress on Computational Mechanics, WCCM8, and 5th European Congress on Computational Methods in Applied Sciences and Engineering, ECCOMAS (30 June–4 July 2008), Venice, Italy.
  • "Characterisation of the FMM approximation in particle simulations", Felipe A. Cruz, L. A. Barba. 8th World Congress on Computational Mechanics, WCCM8, and 5th European Congress on Computational Methods in Applied Sciences and Engineering, ECCOMAS (30 June–4 July 2008), Venice, Italy.
  • "Fast multipole method for particle interactions: an open source parallel library component", Felipe A. Cruz, L. A. Barba, Matthew G. Knepley. 20th International Conference on Parallel Computational Fluid Dynamics (19–22 May 2008), Lyon, France. // ParCFD website

    Extended paper published in Lecture Notes in Computational Science and Engineering, D. Tromeur-Dervout, G. Brenner, D.R. Emerson, J. Erhel (eds.), Springer, 2011.

  • "Eulerian versus Lagrangian flow geometry for analysis of vortex structures", L. A. Barba. EUROMECH 491 Vortex Dynamics from Quantum to Geophysical scales organized by University of Exeter (September 2007), Exeter, UK.
  • "Meshless simulation of Navier-Stokes equations with high-order and spatially adaptive basis functions", L. A. Barba, L. F. Rossi. 9th US National Congress on Computational Mechanics (July 2007), San Francisco, CA.
  • "Emergence of tripoles in nonlinearly perturbed planar vortices", L. A. Barba. International Conference on High Reynolds number vortex interactions (August 2005), Toulouse, France.
  • "Spectral-like accuracy in space of a meshless vortex method", L. A. Barba. ECCOMAS Thematic Conference on Meshless Methods (11–14 July 2005), Lisbon, Portugal.
  • "Numerical simulation of strained vortices with parallel vortex method", L. A. Barba. 17th International Conference on Parallel Computational Fluid Dynamics organized by University of Maryland (24–27 May 2005), College Park, MD.
  • "Numerical studies of relaxing 2D vortices with non-axisymmetric states", L. A. Barba, A. Leonard. EUROMECH 448 Vortex Dynamics and Field Interactions (6–10 September 2004), Paris, France.
  • "Computation of viscous vortices with fully meshless method", L. A. Barba, A. Leonard. 21st ICTAM, International Congress of Theoretical and Applied Mechanics (15–21 August 2004), Warsaw, Poland.
  • "Computing high-Reynolds number vortical flows: a highly accurate method with a fully meshless formulation", L. A. Barba. 16th International Conference on Parallel CFD, (24–27 May 2004), Las Palmas de Gran Canaria, Spain.
  • "Vortex method with meshless spatial adaption for accurate simulation of viscous, unsteady vortical flows", L. A. Barba, A. Leonard, C. B. Allen. ICFD Conference on Numerical Methods for Fluid Dynamics (29 March–1 April 2004), Oxford, United Kingdom.

Posters

  • "Experience Report of Physics-Informed Neural Networks in Fluid Simulations: Pitfalls and Frustration", Pi-Yueh Chuang, Lorena A. Barba. 21st Python in Science Conference (SciPy 2022) (July 2022), Austin, TX. 10.6084/m9.figshare.21432810.v2
  • "Engineers Code: Re-usable, Open Educational Modules for Engineering Undergraduates", Lorena A. Barba, Natalia C. Clementi. JupyterCon (August 2018), NYC. 10.6084/m9.figshare.7150952
  • "Numerical MOOC: Collaborating in Open Education for CSE", Lorena A. Barba, Bernard Knaepen, Ian Hawke. SIAM Conference in Computational Science and Engineering organized by Society for Industrial and Applied Mathematics (February 2017), Atlanta, GA. 10.6084/m9.figshare.4696384.v1 // abstract
  • "Accelerating PETSc-Based CFD Codes with Multi-GPU Computing", Pi-Yueh Chuang, Lorena A. Barba. The International Conference for High Performance Computing, Networking, Storage and Analysis organized by ACM, IEEE Computer Society (November 2016), Salt Lake City, UT. // SC16 poster abstract
  • "Scalable Fast Multipole Methods for Vortex Element Methods", Qi Hu, Nail A. Gumerov, Rio Yokota, Lorena Barba, Ramani Duraiswami. The International Conference for High-Performance Computing, Networking, Storage and Analysis organized by ACM (Nov. 10–16 2012), Salt Lake City, Utah.. 10.1109/SC.Companion.2012.221 // IEEE Explore (Abstract)

    Supercomputing Conference SC12

  • "GPU-accelerated fast multipole BEM with applications in protein electrostatics", Rio Yokota, L. A. Barba. (November 2010).

    Boston University booth at Supercomputing’10, New Orleans, LA

  • "Multiplying the speed-ups: GPU-accelerated, fast multipole BEM, for applications in protein electrostatics", L. A. Barba, Rio Yokota, J. P. Bardhan, M. G. Knepley. GPU Technology Conference (20–24 September 2010), San Jose, CA.
  • "Rigorous approximation of continuum electrostatics: the impact of fast algorithms and GPU computing", J. P. Bardhan, Rio Yokota, M. G. Knepley, L. A. Barba. 24th Symposium of the Protein Society (1–5 August 2010), San Diego, CA.

    (Abstract number 437)

  • "PetRBF—A parallel O(N) algorithm for radial basis function interpolation", Rio Yokota, L. A. Barba, Matthew G. Knepley. (November 2009).

    Boston University booth at Supercomputing’09, Portland, OR

Periodicals

  • "Trustworthy computational evidence through transparency and reproducibility", Lorena A. Barba. Computing in Science and Engineering, 23(1):58-64 (Jan/Feb 2021), IEEE Computer Society. 10.1109/MCSE.2020.3048406 // Preprint on Authorea.
  • "The Python/Jupyter Ecosystem: Today’s Problem-Solving Environment for Computational Science", Lorena A. Barba. Computing in Science and Engineering, 23(3):5-9 (May/June 2021), IEEE Computer Society. 10.1109/MCSE.2021.3074693 // Preprint in Authorea
  • "Scientific Computing With Python on High-Performance Heterogeneous Systems", Lorena A. Barba, Andreas Klöckner, Prabhu Ramachandran, Rollin Thomas. Computing in Science & Engineering, 23(4):5–7 (July/August 2021), IEEE Computer Society. 10.1109/MCSE.2021.3088549
  • "Computational science and engineering in 2020", Lorena A. Barba. Computing in Science and Engineering, 22(6):5–7 (Nov./Dec. 2020), IEEE Computer Society. 10.1109/MCSE.2020.3027933 // preprint on Authorea
  • "Praxis of reproducible computational science", Lorena A. Barba. Computing in Science and Engineering, 21(1):73-78 (Feb. 2019), IEEE. 10.1109/MCSE.2018.2881905 // preprint on Authorea
  • "The principles of tomorrow's university", Daniel S. Katz, Gabrielle Allen, Lorena A. Barba, Devin R. Berg, Holly Bik, Carl Boettiger, Christine L. Borgman, C. Titus Brown, Stuart Buck, Randy Burd, Anita de Waard, Martin Paul Eve, Brian E. Granger, Josh Greenberg, Adina Howe, Bill Howe, May Khanna, Timothy L. Killeen, Matthew Mayernik, Erin McKiernan, Chris Mentzel, Nirav Mercant, Kyle E. Niemeyer, Laura Noren, Sarah M. Nussesr, Daniel A. Reed, Edward Seidel, MacKenzie Smith, Jeffrey R. Spies, Matthew Turk, John D. Van Horn, Jay Walsh. F1000Research, 7:1926 (December 2018). 10.12688/f1000research.17425.1

    [version 1; referees: 1 approved]

  • "Reproducible Research for Computing in Science & Engineering", Lorena A. Barba, George K. Thiruvathukal. Computing in Science and Engineering, 19(6):85-87 (October 2017), IEEE/AIP. 10.1109/MCSE.2017.3971172

    Open access.

  • "The hard road to reproducibility", Barba, Lorena A.. Science, 354(6308):142 (October 2016), AAAS. 10.1126/science.354.6308.142 // PDF
  • "Guest editorial: Flipped classrooms in STEM", Barba, Lorena A., Kaw, Autar, LeDoux, Joseph M.. Advances in Engineering Education, 5(3) (November 2016), American Society for Engineering Education. // PDF
  • "The Gathering Storm: Flipping the Classroom", Lorena A. Barba. SHPE Magazine, Winter 2014, 16(1):28–30 (January 2014), Society of Hispanic Professional Engineers. // SHPE website
  • "How will the fast multipole method fare in the exascale era?", Lorena A. Barba, Rio Yokota. SIAM News, 46(6):1 (July 2013), Society of Industrial and Applied Mathematics. // SIAM News link

Technical Reports

  • "Reproducibility and Replicability in Science", National Academies of Sciences, Engineering, and Medicine. (May 2019). 10.17226/25303 // News post

    The National Academies Press, Washington, DC

  • "Toward a compatible reproducibility taxonomy for computational and computing sciences", Michael A. Heroux, Lorena A. Barba, Manish Parashar, Victoria Stodden, Michela Taufer. (October 2018). 10.2172/1481626 // OSTI Record

    Sandia National Laboratory Technical Report SAND2018-11186

  • "Open Source Software Policy Options for NASA Earth and Space Sciences", National Academies of Sciences, Engineering, and Medicine. (September 2018). 10.17226/25217 // News post

    The National Academies Press, Washington, DC