Thermalized Drude Oscillators with the LAMMPS Molecular Dynamics Simulator.

Alain Dequidt Julien Devémy Agílio A. H. Pádua

Published in: J. Chem. Inf. Model. (2016)

Keyphrases

molecular dynamics
high performance computing
scientific data
molecular dynamics simulations
protein folding
fluid flow
data management
databases
management system
operating system