Manual_XiaoquanSun.pdf explains the algorithm of this script. The input data and output files are explained in detail. Video Demo at https://goo.gl/txjj3a
-
Notifications
You must be signed in to change notification settings - Fork 5
Designed a MATLAB script to conduct the classical molecular dynamics simulation. Computed kinetic/potential energies, diffusion coefficient, trajectories of particles in a 3D box based on Van der Waals interaction, Periodic Boundary Condition, and Verlet integrator. Video Demo at
xs005/MATLAB-Molecular-Dynamics-Simulation
Folders and files
| Name | Name | Last commit message | Last commit date | |
|---|---|---|---|---|
Repository files navigation
About
Designed a MATLAB script to conduct the classical molecular dynamics simulation. Computed kinetic/potential energies, diffusion coefficient, trajectories of particles in a 3D box based on Van der Waals interaction, Periodic Boundary Condition, and Verlet integrator. Video Demo at
Resources
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published