# Lorena A. Barba group

## Announcing AeroPython!

I haven't lectured in two years. I've of course been teaching, but have stopped using the method known as "the lecture"—delivering a set amount of material (aka, "covering") from the front of the classroom to a group of mostly quiet, note-taking students. Like greater profs before me, I am a converted lecturer.1 It was Spring... Continue »

## Proposal: Just-in-time Interactive Online Modules for Applied Engineering Computing

This short proposal was submitted in November 2013 to the Grants for High-Impact Teaching and Learning Practices of The Office of Teaching & Learning, George Washington University.

We propose to develop and pilot a series of interactive online modules that teach programming in... Continue »

## Accepted: Biomolecular electrostatics solver using Python and GPUs

Submitted: 20 September, 2013. Accepted: 24 October, 2013. This paper presents a study of the effect of solvent-filled cavities and Stern layers in a biomolecular electrostatics solver based on a boundary integral formulation. The tool for this study was the PyGBe code: a solver for biomolecular electrostatics using Python, GPUs and boundary elements. To determine... Continue »

## CFD Python: 12 steps to Navier-Stokes

We announce the public release of online educational materials for self-learners of CFD using IPython Notebooks: the CFD Python Class! Update! (Jan.2014) CFD Python has a new home on GitHub Some background This post describes the first practical module of Prof. Barba's Computational Fluid Dynamics class, as taught between 2010 and 2013 at Boston University. The... Continue »

## PyGBe: Python on the surface, GPUs at the heart. BEM solver for Electrostatics of Biomolecules

Poster presented at the GPU Technology Conference, March 2013, San Jose, CA.

It presents the PyGBe code (pronounced 'pig-bee'), which solves the linearized Poisson-Boltzmann equation using a boundary element method, BEM. The underlying dense systems are solved using a Krylov-subspace method, accelerated with... Continue »

## PyGBe code for Poisson-Boltzmann equations

Close-up of the surface mesh on a lysozyme molecule, showing the surface charge obtained with PyGBe.