Müller-Brown Basin MA: Langevin Dynamics Simulation
Langevin dynamics simulation showing particle motion in the deep reactant minimum (Basin MA) of the Müller-Brown potential energy surface.
Trajectory-Analysis
11 posts tagged with trajectory-analysis.
Müller-Brown Basin MB: Langevin Dynamics Simulation
Langevin dynamics simulation showing particle motion in the product minimum (Basin MB) of the Müller-Brown potential energy surface.
Müller-Brown Transition: Langevin Dynamics Simulation
Extended Langevin dynamics simulation showing particle transitions between different basins of the Müller-Brown potential energy surface.
Liquid Argon: LAMMPS Simulation
LAMMPS molecular dynamics simulation showing liquid argon behavior.
LAMMPS Simulation: Pt Adatom Diffusion on Pt(100) Surface
Build LAMMPS molecular dynamics simulations of platinum surface diffusion. Setup and analysis tutorial for generating trajectory data.
Copper Adatom Diffusion on Cu(100): LAMMPS Simulation
LAMMPS molecular dynamics simulation showing copper adatom diffusion on a Cu(100) surface.
Platinum Adatom Diffusion on Pt(100): LAMMPS Simulation
LAMMPS molecular dynamics simulation showing platinum adatom diffusion on a Pt(100) surface.
Simulating Cu Adatom Diffusion with LAMMPS
Learn LAMMPS molecular dynamics: simulate copper adatom diffusion on Cu(100) surfaces with setup guide and trajectory analysis.
Generating Mini-Protein Trajectories with GROMACS
Build GROMACS workflows for simulating mini-proteins across multiple amino acids. Generate diverse MD trajectories for machine learning.
Mini-Protein Trajectory Generation
GROMACS workflows for simulating amino acid dipeptides, creating diverse datasets for machine learning studies of protein dynamics beyond typical …
LAMMPS Adatom Diffusion Series
Molecular dynamics simulations studying atomic diffusion on metal surfaces, designed to generate high-quality trajectory data for machine learning …