ls1mardyn / ls1-mardyn
ls1-MarDyn is a massively parallel Molecular Dynamics (MD) code for large systems. Its main target is the simulation of thermodynamics and nanofluidics. ls1-MarDyn is designed with a focus on performance and easy extensibility.
☆28Updated this week
Alternatives and similar repositories for ls1-mardyn:
Users that are interested in ls1-mardyn are comparing it to the libraries listed below
- MiniMD Molecular Dynamics Mini-App☆50Updated last month
- MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…☆43Updated last week
- Autopas is a node-level auto-tuned particle simulation library developed in the context of the TaLPas project.☆37Updated this week
- Molecular dynamics proxy application based on Cabana☆21Updated 2 months ago
- A CUDA project for Molecular Dynamics, Brownian Dynamics, Hydrodynamics... intended to simulate a very generic system constructing a simu…☆56Updated 2 weeks ago
- MultiResolution Chemistry☆31Updated 2 weeks ago
- Main ESPResSo++ repository☆44Updated 4 months ago
- Positively Split Ewald☆21Updated 4 years ago
- The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…☆41Updated 2 years ago
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Updated 3 years ago
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆80Updated 2 weeks ago
- ScaFaCoS library for Fast Coulomb Solvers☆29Updated 2 months ago
- Open Source Exascale Computational Chemistry Software☆25Updated 3 months ago
- LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.☆28Updated last month
- Efficient and easy to use fortran implementation of the Ewald summation method☆13Updated last year
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆62Updated 5 years ago
- Developer repository for the LATTE code☆41Updated 2 weeks ago
- TChem - A Software Toolkit for the Analysis of Complex Kinetic Models☆58Updated 5 months ago
- A lipid-resolution molecular dynamics simulator of human red blood cells☆28Updated 3 years ago
- Contains build scripts and instructions for software on a variety of UK HPC resources☆84Updated 2 weeks ago
- Opensource software to model heterogeneous catalytic reactions. Based on Cantera☆16Updated last year
- Molecular dynamics proxy application based on Kokkos☆33Updated 9 months ago
- Axel Kohlmeyer's development repository of the LAMMPS MD software package☆12Updated this week
- USER-MESO package for LAMMPS☆13Updated 8 years ago
- Domain specific library for electronic structure calculations☆142Updated this week
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆33Updated 3 weeks ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆48Updated last week
- Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, mole…☆45Updated last year
- A lightweight, object-oriented C++ library that contains a general framework for creating custom kinetic Monte Carlo simulation software …☆20Updated 4 years ago
- ☆11Updated 2 months ago