A copy of all my presentations
The original 3D DFT development, using the RFD functional. This produced the paper, but should be rewritten knowing what we now know.
The Citcom Solver Workshop was held at UC Davis, September 16-17, 2013. It was chaired by Margarete Jadamec and Matthew Knepley, and incorporated participants from ANL, Brown, U. Chicago, CIG, ETHZ, U. Hawaii, Rice, UC Boulder, UC Davis, and USC.
Citcom extension that uses PETSc.
The idea is to give people the tools to assess and improve the performance of complex simulations, rather than toy models. This necessitates a mix of simple models, targeted profiling, and architectural understanding.
Tools, mostly Python, I use to manage software development.
A boilerplate configure setup
Scattering calculation for protein in solution
C and C++ code generation