m-rivera / ljmdLinks
Lennard-Jones Molecular Dynamics for beginners
☆14Updated 3 years ago
Alternatives and similar repositories for ljmd
Users that are interested in ljmd are comparing it to the libraries listed below
Sorting:
- LAMMPS tutorials for both beginners and advanced users: the article☆23Updated last month
- ☆16Updated 3 years ago
- Interactive tutorials for the PIMD Massive Open Online Course☆23Updated last year
- An interactive structure viewer alongside its simulated diffraction pattern☆18Updated 3 months ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆18Updated 3 weeks ago
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆27Updated 3 years ago
- Python script for calculating vibrational density of states (DOS) from LAMMPS dump file☆16Updated 9 months ago
- Quick Uncertainty and Entropy via STructural Similarity☆44Updated last month
- Input script for Monte Carlo (GCMC) simulations☆18Updated 9 months ago
- Tool for finding atomic environments in crystal structures☆21Updated 2 weeks ago
- Python interface for Enhanced Monte Carlo (EMC)☆19Updated 2 months ago
- A python package for classical Density Functional Theory (cDFT). This package allows you to find the equilibrium density profile of an in…☆26Updated 3 years ago
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆51Updated 2 years ago
- A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e.…☆16Updated 4 months ago
- ☆43Updated 4 years ago
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆28Updated 4 years ago
- Generate symmetrized force constants☆21Updated this week
- A Python Package to Automate Thermodynamic Integration Calculations for Free Energy☆27Updated this week
- ☆33Updated 7 months ago
- MBX is an energy and force calculator for data-driven many-body simulations.☆37Updated 8 months ago
- Lava is a general-purpose calculator that provides a python interface to enable one-click calculation of the many common properties with …☆15Updated 3 years 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…☆15Updated 7 years ago
- Personal functions for making Pyplot Python figures☆17Updated 8 months ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆38Updated last week
- Lecture materials for: Ab initio methods in solid state physics.☆22Updated 6 months ago
- Tools to interface ChIMES with various external codes.☆22Updated last week
- Gromacs Topology Files for common Ionic Liquids☆21Updated 6 months ago
- materials science related animations☆11Updated 4 months ago
- ☆14Updated 6 years ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated last year