230 citations · 230 across the 1 of their papers we have counts for
2 papers
physics.comp-ph2020★ 230 cited
Machine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems
Paraskevi Gkeka, Gabriel Stoltz, Amir Barati Farimani +14
Machine learning encompasses a set of tools and algorithms which are now becoming popular in almost all scientific and technological fields. This is true for molecular dynamics as…
physics.comp-ph2018
Refinement of Thermostated Molecular Dynamics Using Backward Error Analysis
Ana J. Silveira, Charlles R. A. Abreu
Kinetic energy equipartition is a premise for many deterministic and stochastic molecular dynamics methods that aim at sampling a canonical ensemble. While this is expected for rea…