H2O MD simulation heating from 0 K to 300 K

Molecular dynamics heating NaCl from 0K to 300K over 10ps

Visualization created using .traj outputs of ASE MD simulation

mp-697111 H2O

https://next-gen.materialsproject.org/materials/mp-697111

H2O trajectories

Molecular dynamics simulation temperature ramping H2O 3x3x3 supercell from 0 K to 300 K

Simulated temperature of H2O over 10ps from 0 K to 300 K