PRISMS-PF: An Open-Source Phase-Field Modeling Framework

Serac is a high order nonlinear thermomechanical simulation code

Quantum chemistry and solid state physics software package

Quantum Mechanical Bespoke Force Field Derivation Toolkit

The fastest and most memory efficient lattice Boltzmann CFD software, running on all GPUs and CPUs via OpenCL. Free for non-commercial use.

Tight binding molecular dynamics code to model carbon structures (linear carbon chains, fullerenes, graphene, etc.)

A MATlab toolkit for LAttice DYnamics calculations based on empirical potentials

An AI-targeted physical simulation platform.

3D finite element solver for computational electromagnetics

Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)

Ab initio simulator for thermal transport and lattice anharmonicity

A coupling library for partitioned multi-physics simulations, including, but not restricted to fluid-structure interaction and conjugate heat transfer simulations.

SiEPIC EBeam PDK & Library, for SiEPIC-Tools and KLayout

Toolkit for Monte Carlo simulation of ionizing radiation — Trousse d'outils logiciels pour la simulation Monte Carlo du rayonnement ionisant

A curated list of open source projects used in nuclear science and engineering

Geant4 toolkit for the simulation of the passage of particles through matter - NIM A 506 (2003) 250-303

Yonggang's 3D Monte Carlo radiation damage code

The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.

LAMMPS interface for phonon calculations using phonopy

Matherials for the course Electronic structure calculations

FAC - Flexible Atomic Code by Ming Feng Gu

i-PI: a universal force engine

A deep learning package for many-body potential energy representation and molecular dynamics

A flyweight in situ visualization and analysis runtime for multi-physics HPC simulations

Collection of MATLAB scripts for modeling of interaction between crystals and x-rays or electrons.

Performance-portable library for particle-based simulations

💎 Feel++: Finite Element Embedded Language and Library in C++

Repository for the code of the simplex non-negative matrix factorization algorithm for EDXS data

Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ&hl=en https://www.youtube.com/watch?v=WYePjZMzx3M