Monte Carlo and Molecular Dynamics Simulation Package
☆93Jul 20, 2024Updated last year
Alternatives and similar repositories for mcmd
Users that are interested in mcmd are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A Monte Carlo molecular simulation software especially suited for materials simulations with polarizable models☆52Oct 21, 2025Updated 5 months ago
- iRASPA for linux and windows☆36Aug 27, 2024Updated last year
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆35Jul 15, 2022Updated 3 years ago
- This GitHub repository contains additional information supporting published manuscripts☆19Sep 9, 2024Updated last year
- Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.☆13Aug 15, 2020Updated 5 years ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆25Oct 4, 2024Updated last year
- python simulation interface for molecular modeling☆104Jun 26, 2022Updated 3 years ago
- Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edit…☆340Updated this week
- The Density Functional Theory for Electrolyte Solutions☆10Sep 13, 2022Updated 3 years ago
- In this project, we give python and C++ codes for the Ring Polymer Molecular Dynamics (RMPD) to calculate the time correlation function(…☆12Dec 31, 2017Updated 8 years ago
- Jupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkal…☆12Oct 1, 2020Updated 5 years ago
- Tracking citations of atomistic simulation engines☆27Updated this week
- Modification of RASPA2 code for GC-TMMC simulations☆13Apr 18, 2024Updated last year
- A collection of crystal structures from first-principles simulations☆39Apr 9, 2020Updated 5 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Etomica is a molecular simulation framework written in Java, developed at the Department of Chemical & Biological Engineering at the Uni…☆16Updated this week
- Classical molecular simulation code☆164Jul 13, 2024Updated last year
- A Framework for Metropolis Monte Carlo Simulation of Molecular Systems☆72Mar 10, 2026Updated 2 weeks ago
- AIM (Adsorption Integrated Modules) is a collection of MATLAB based GUI modules for adsorption isotherm based fixed bed process modelling☆16Nov 14, 2025Updated 4 months ago
- GPUMD and LAMMPS helper functions for thermal computations☆10May 21, 2022Updated 3 years ago
- Molecular Dynamics in the Open☆88Updated this week
- Parallel Groebner Basis Computation☆26Updated this week
- Some examples of GPUMD☆23May 15, 2024Updated last year
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆28Feb 8, 2020Updated 6 years ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Molecular dynamics workflow framework in python.☆13Nov 15, 2022Updated 3 years ago
- The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…☆44Mar 6, 2026Updated 3 weeks ago
- ☆56Mar 20, 2026Updated last week
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93Dec 5, 2025Updated 3 months ago
- Various scripts for quantum chemistry (mainly ORCA)☆15Feb 6, 2025Updated last year
- High-performance phase field crystal (PFC) code for generating realistic model systems of polycrystalline graphene.☆16Nov 13, 2018Updated 7 years ago
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆30Jul 28, 2025Updated 7 months ago
- ☆10Oct 14, 2025Updated 5 months ago
- ☆11Aug 30, 2020Updated 5 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- The future of Packmol☆40Mar 4, 2026Updated 3 weeks ago
- CmuMD implementation for PLUMED2☆22Aug 4, 2023Updated 2 years ago
- ☆19May 30, 2019Updated 6 years ago
- potfit force-matching code☆42Feb 21, 2024Updated 2 years ago
- This software is a general purpose classical simulation package. Online documentation available at:☆92Updated this week
- Molecular dynamics and Monte Carlo soft matter simulation on GPUs.☆423Mar 19, 2026Updated last week
- Python scripts used for the paper "Tuning MXenes towards their Use in Photocatalytic Water Splitting", published in EEM.☆13Nov 15, 2023Updated 2 years ago