Description:
This session showcases projects where developments in coding, compilers, collaboration, or containers have advanced the science of molecular simulation.
As simulations leverage increasingly complex software stacks, the work building and distributing software for many architectures is becoming more important for reproducibility and performance. We encourage submissions describing practices that enable molecular simulations to be run, deployed, or analyzed more quickly and reliably. This includes stories of continuous integration, new libraries or plugins, compiler optimizations, regular developer meetings, and new algorithm development.
Sponsor:
Computational Molecular Science and Engineering Forum
Chair:
Eric Jankowski
Micron School of Materials Science and Engineering, Boise State University, Boise, ID
Co-Chair:
Utkarsh Kapoor
Department of Chemical Engineering, Texas A&M University, College Station, TX
Abstract Submissions Closed
See more of this Group/Topical: Computational Molecular Science and Engineering Forum