Lorena A. Barba group


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Probing protein orientation near charged surfaces

Figure from our paper on probing protein orientation near charged surfaces.

First version submitted: 31 March 2015. Submission of split papers: June 7 & June 12. Accepted: 4 Sept. & 26 Dec. 2015.   UPDATE: The material in the original manuscript was split in two papers, submitted to different peer-reviewed journals. The editorial decision on the first submission was that the paper was out of scope... Continue »

Ph.inally D.one!

Congratulations Anush! Friends surprised Anush with this lovely cake to celebrate his accomplishment.

Two Barba-group Ph.D. students successfully defended their doctoral dissertation this week. Congratulations to them! Anush Krishnan came to Boston University on 2009, after completing a Dual Degree (B. Tech & M. Tech.) in Aerospace Engineering at IIT Madras, Chennai, India. He has worked on development of immersed boundary methods (IBM) for solving Navier-Stokes equations at moderate... Continue »

Announcing "Practical Numerical Methods with Python" MOOC

Aug. 6—New! Course site now open for registrations! As announced at SciPy 2014 (July 8), I will be teaching a numerical methods course at GW this Fall semester that will be connected with three other courses around the world, and also with an independent MOOC titled "Practical Numerical Methods with Python." This is a collaboration... Continue »

New CUDA Research Center at GW

NV_CUDA_Research_Center_3D

NVIDIA names GW a new CUDA Research Center, in recognition of the research trajectory of Prof. Lorena Barba. The announcement reads as follows. The CUDA Research Center at the George Washington University in Washington, DC, recognizes the research trajectory of Prof. Lorena A. Barba. With a background in mechanical engineering and aeronautics, and a few... Continue »

Accepted: Biomolecular electrostatics solver using Python and GPUs

Surface charge plot on a lysozyme molecule, obtained using the PyGBe code.

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 »