Lorena A. Barba group
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Prof. Barba awarded Doctor Honoris Causa
Universidad Técnica Federico Santa María (Valparaíso, Chile), where Prof. Barba received her degree in mechanical engineering, has awarded her the university's highest honorific: the degree of Doctor Honoris Causa. The solemn award ceremony inaugurated the 2022 academic year, and was the first in-person event at the university post-pandemic. Only seven other people have been awarded this... Continue »
Paulina Rodriguez awarded DOE Computational Science Graduate Fellowship
New Barba-group member Paulina Rodríguez has been awarded a coveted Department of Energy (DOE) Computational Science Graduate Fellowship (CSGF). This program, running now for 30 years, confers fellows with unparalleled support and opportunities: full tuition and stipend, a twelve-week practicum experience at a DOE national laboratory, an annual fellows summit and program review, and a... Continue »
Keynote at the 35th International Parallel and Distributed Processing Symposium, IPDPS
On May 19, 2021, Prof. Barba gave a keynote talk at IPDPS, a long-running technical conference sponsored by the IEEE Computer Society's Technical Committee on Parallel Processing. Her talk was titled "12 Ways to Fool the Masses with Irreproducible Results." Abstract Thirty years ago, David Bailey published a humorous piece in the Supercomputing Review magazine,... Continue »
High-productivity, high-performance workflow for virus-scale electrostatic simulations with Bempp-Exafmm
Preprint: arXiv:2103.01048, 1 Mar 2021. Submitted: 22 Mar. 2021. Abstract Biomolecular electrostatics is key in protein function and the chemical processes affecting it.Implicit-solvent models expressed by the Poisson-Boltzmann (PB) equation can provide insights with less computational power than full atomistic models, making large-system studies—at the scale of viruses, for example —accessible to more researchers. This paper... Continue »
Natalia Clementi defended her PhD thesis
Congratulations to Natalia Clementi, who successfully defended her thesis on February 16, 2021. Bravo! Natalia is from Argentina, with a degree in physics from Universidad Nacional de Córdoba. She was recruited by Prof. Barba during the VI Latin American Symposium on High-Performance Computing (HPC-Latam) in July 2013, and arrived in Washington to join the Barbagroup... Continue »
Reproducible validation and replication studies in nanoscale physics
Preprint: arXiv 2008.05414, 12 Aug 2020. Submitted: July 27, 2020. Accepted: September 23, 2020. Published online: 29/03/2021 Published in print: 17/05/2021 Philosophical Transactions of the Royal Society A, 379(2197):20200068 (March 2021). https://doi.org/10.1098/rsta.2020.0068 Theme issue: ‘Reliability and reproducibility in computational science: implementing verification, validation and uncertainty quantification in silico’ – compiled and edited by P. V. Coveney, D.... Continue »