Molecular dynamics¶
- How to Setup Basic Molecular Dynamics Simulations
- Simulating Thin Film Growth via Vapor Deposition
- Simulating Si Deposition using Silane
- Simulating Ion Bombardment on Graphene Sheets
- Uniaxial and Biaxial Stress in Silicon
- Adding, Combining, and Modifying Classical Potentials
- Generating Amorphous Structures
- Young’s modulus of a CNT with a defect
- Interfacial thermal conductance
- Diffusion in Liquids from Molecular Dynamics Simulations
- Simulating a creep experiment of polycrystalline copper
- Metadynamics Simulation of Cu Vacancy Diffusion on Cu(111) - Using PLUMED
- Open-circuit voltage profile of a Li-S battery: ReaxFF molecular dynamics
- Viscosity in liquids from molecular dynamics simulations
- Building an model of an epoxy thermoset material
- Analyzing the thermo-mechanical properties of a polymer material
- Generating A Moment Tensor Potential for HfO2 Using Active Learning
- How to Train a Moment Tensor Potential in QuantumATK