Lorena A. Barba group


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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 »

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 »