2014 AIChE Annual Meeting

Session: Software Engineering in and for the Molecular Sciences II

Software Engineering in and for the Molecular Sciences

Chair

Frank T. Willmore, National Institute of Standards and Technology

Co-Chair

Presentations

03:15 PM

(406a) Scalable Monte Carlo Simulations of Millions of Particles on Thousands of GPUs
Joshua A. Anderson, M. Eric Irrgang, Sharon C. Glotzer

03:55 PM

(406b) Polymatic: A General Simulated Polymerization Algorithm
Lauren J. Abbott, Coray M. Colina

04:20 PM

(406c) Cassandra: A Novel, Open-Source Monte Carlo Molecular Modeling Platform for Materials Modeling
Jindal K Shah, Edward Maginn, Eliseo MarinRimoldi

04:45 PM

(406d) Development of a GPU Optimized Gibbs Ensemble Monte Carlo Simulation Engine
Jeffrey J. Potoff, Loren Schwiebert, Jason R. Mick, Kamel I. Rushaidat, Brock Jackman, Yuanzhe Li

05:10 PM

(406e) A Parallel Fortran Code to Perform Density Derived Electrostatic and Chemical (DDEC) Analysis
Nidia Gabaldon Limas, Thomas A. Manz