GPU-Based Molecular Dynamics of Turbulent Liquid Flows with OpenMM.

Daniil Pavlov Daniil Kolotinskii Vladimir V. Stegailov

Published in: PPAM (1) (2022)

Keyphrases

molecular dynamics
fluid flow
heat transfer
scientific data
molecular dynamics simulations
high performance computing
dynamical systems
velocity field
numerical simulations
boundary conditions
protein folding
computational fluid dynamics
mathematical model
vector field
patient specific
theoretical analysis