2014 AIChE Annual Meeting

Session: Software Engineering in and for the Molecular Sciences II

Software Engineering in and for the Molecular Sciences

Chair

Willmore, F. T., 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

Anderson, J. A., Irrgang, M. E., Glotzer, S. C.

03:55 PM

(406b) Polymatic: A General Simulated Polymerization Algorithm

Abbott, L. J., Colina, C. M.

04:20 PM

(406c) Cassandra: A Novel, Open-Source Monte Carlo Molecular Modeling Platform for Materials Modeling

Shah, J. K., Maginn, E., MarinRimoldi, E.

04:45 PM

(406d) Development of a GPU Optimized Gibbs Ensemble Monte Carlo Simulation Engine

Potoff, J. J., Schwiebert, L., Mick, J. R., Rushaidat, K. I., Jackman, B., Li, Y.

05:10 PM

(406e) A Parallel Fortran Code to Perform Density Derived Electrostatic and Chemical (DDEC) Analysis

Gabaldon Limas, N., Manz, T. A.