lammps / learningLinks
Learning Molecular Dynamics with LAMMPS
☆15Updated last year
Alternatives and similar repositories for learning
Users that are interested in learning are comparing it to the libraries listed below
Sorting:
- How-to perform LAMMPS simulations☆14Updated last year
- Interface aenet with the LAMMPS molecular dynamics software (https://lammps.sandia.gov)☆8Updated 4 months ago
- Lecture materials for: Ab initio methods in solid state physics.☆21Updated 6 months ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆18Updated last week
- LAMMPS tutorials for both beginners and advanced users: the article☆24Updated 2 weeks ago
- ☆20Updated last year
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆11Updated 2 months ago
- ☆17Updated 4 years ago
- Interactive tutorials for the PIMD Massive Open Online Course☆23Updated last year
- This is a GPU optimized version of ShengBTE.☆15Updated 8 months ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆21Updated 2 years ago
- Effective mass calculation with DFT☆16Updated 9 months ago
- Scripts to extract various properties from VASP OUTCAR file☆11Updated last year
- Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials☆22Updated 7 months ago
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆15Updated 2 years ago
- SPMS table of pseudopotentials☆19Updated 2 years ago
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆13Updated 2 years ago
- Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes☆15Updated 2 months ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated 2 months ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆26Updated 3 years ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆20Updated last month
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆16Updated 2 months ago
- ☆20Updated last year
- Scripts to calculate elastic properties from a set of strained structures☆19Updated 11 months ago
- ☆26Updated 6 months ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆22Updated 5 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- Interfacial Phonon code☆27Updated 2 years ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Updated 5 years ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 4 years ago