10.6084/m9.figshare.6167906.v2
David Kofke
David
Kofke
Andrew Schultz
Andrew
Schultz
Implementing Harmonically Mapped Averaging Methods on Popular Molecular Simulation Platforms
figshare
2018
NSF-SI2-2018-Talk
Chemical Engineering not elsewhere classified
Thermodynamics and Statistical Physics
Physical Chemistry of Materials
2018-04-30 13:22:03
Dataset
https://figshare.com/articles/dataset/Implementing_Harmonically_Mapped_Averaging_Methods_on_Popular_Molecular_Simulation_Platforms/6167906
Mapped averaging is a new framework for statistical mechanics that prescribes ways to compute properties with high precision. Our project aims to implement these methods on popular molecular simulation codes so that the larger community of molecular modelers can make use of this advance.<br>