Lorena A. Barba group


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Reproducible validation and replication studies in nanoscale physics

Preprint: arXiv 2008.05414, 12 Aug 2020. Submitted: July 27, 2020. Accepted: September 23, 2020. To appear in Philosophical Transactions A, of the Royal Society. Abstract Credibility building activities in computational research include verification and validation, reproducibility and replication, and uncertainty quantification. Though orthogonal to each other, they are related. This paper presents validation and replication studies... Continue »

How repro-packs can save your future-self

The story of a bug-fix after the research paper was published. Back in December 2019 we published a paper along with its reproducibility packages. These repro-packs, as we call them, consist of all the files necessary to reproduce the results in our paper (data and plots) and we deposit them in Zenodo and Figshare archives... Continue »

Computational nanoplasmonics in the quasistatic limit for biosensing applications

Preprint: arXiv 1812.10722 Dec. 31, 2018. Submitted: Dec. 31, 2018; Jan. 20, 2019; Mar. 20, 2019. Accepted: Nov. 1. Published: Dec. 16, 2019. DOI: 10.1103/PhysRevE.100.063305 Abstract This work uses the long-wavelength limit to compute LSPR response of biosensors, expanding the open-source PyGBe code to compute the extinction cross-section of metallic nanoparticles in the presence of any target... Continue »

Reproducible workflow on a public cloud for computational fluid dynamics

Submitted: April 18, 2019. Preprint: arXiv 1904.07981 Revised: Aug. 22. Accepted: Sep. 4. Published: Sep. 17, 2019 DOI 10.1109/MCSE.2019.2941702 Abstract In a new effort to make our research transparent and reproducible by others, we developed a workflow to run and share computational studies on the public cloud Microsoft Azure. It uses Docker containers to create an... Continue »