Learning Molecular Dynamics with LAMMPS
☆16Jan 15, 2024Updated 2 years ago
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☆16Nov 27, 2023Updated 2 years ago
- On-the-fly calculation of Transport Properties☆28Jun 19, 2023Updated 2 years ago
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…☆36Mar 9, 2026Updated last week
- LAMMPS extension to capture electron-ion interaction. This is a mirror of https://gitlab.com/artuuuro/USER-EPH.☆18Mar 31, 2025Updated 11 months ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 5 months ago
- UW CHEME 375 and applications in CHEME 310, 326. Chemical engineering scientific computing and numerical methods. Topics include curve fi…☆15Jun 3, 2023Updated 2 years ago
- VMD plugin for manipulating topology information☆41Jun 2, 2025Updated 9 months ago
- Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…☆15Oct 7, 2017Updated 8 years ago
- Running a molecular simulation with the polarizable force field in LAMMPS☆21Jan 9, 2023Updated 3 years ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆12Feb 27, 2026Updated 2 weeks ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆22Aug 19, 2025Updated 7 months ago
- Real time molecular dynamics in the browser using LAMMPS☆71Updated this week
- TREKIS-3: Time-Resolved Electron Kinetics in SHI-Irradiated Solids☆11Oct 11, 2025Updated 5 months ago
- AMLP integrates dataset creation, input/output handling, and analysis for machine learning interatomic potentials. It supports Gaussian, …☆31Mar 9, 2026Updated last week
- A tutorial on the linear scaling quantum transport methods using Jupyter (with Python3)☆14Mar 17, 2019Updated 7 years ago
- Lean for Scientists and Engineers, course taught in Summer 2024☆26Jan 6, 2025Updated last year
- Fortran and Python library to predict material interface structures☆21Nov 7, 2025Updated 4 months ago
- Two-temperature model (TTM) parameters (G, Ce, K) calculated with XTANT-3☆13Nov 30, 2025Updated 3 months ago
- dataset augmentation for atomistic machine learning☆23Nov 21, 2025Updated 3 months ago
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Nov 9, 2021Updated 4 years ago
- PHYS 516 https://aiichironakano.github.io/phys516 - CSCI 596 https://aiichironakano.github.io/cs596 - CSCI 653 https://aiichironakano.git…☆15Dec 1, 2025Updated 3 months ago
- Hosting repository for apps on the LearnChemE website, http://www.learncheme.com/☆19Updated this week
- Input script for Monte Carlo (GCMC) simulations☆20Sep 5, 2024Updated last year
- Code Repository for ChE 197 and ChE 297, machine learning courses for Chemical Engineers at UP Diliman☆28Feb 6, 2026Updated last month
- Repository of the gromacstutorials webpage☆14Jan 23, 2026Updated last month
- Python interface for Enhanced Monte Carlo (EMC)☆23Mar 2, 2026Updated 2 weeks ago
- ☆14May 10, 2024Updated last year
- Convert files from the ATB repository to LAMMPS format☆22Aug 26, 2025Updated 6 months ago
- Materials for my undergraduate course on Chemical Engineering Kinetics and Reactor Design at Northeastern University☆18Jan 10, 2024Updated 2 years ago
- Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)☆28Jan 16, 2024Updated 2 years ago
- Tool to read a logfile produced by LAMMPS into a pandas dataframe with a get_log("log.lammps")-function providing the log data.☆67Jan 8, 2026Updated 2 months ago
- Corrections to the text of the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford Un…☆32Mar 21, 2023Updated 2 years ago
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆39Mar 11, 2026Updated last week
- For the conversion of crystal systems (as cifs) to LAMMPS inputs☆27Sep 13, 2021Updated 4 years ago
- Package to run atomic / molecular Monte Carlo simulations☆21Mar 9, 2026Updated last week
- Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for th…☆70Jul 16, 2021Updated 4 years ago
- [UNMAINTAINED] Lammps data file creation☆28May 28, 2018Updated 7 years ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93Dec 5, 2025Updated 3 months ago
- Files used in TMP Chem videos on physical chemistry☆30May 30, 2014Updated 11 years ago