A neural network interatomic potential for the ternary system of $\alpha$-Fe-C-H

A Monte-Carlo Radiation Transport Simulation Application for calculating spatially resolved radiation fields as described in "RadField3D: A Data Generator and Data Format for Deep Learning in Radia…

A collection of Nerual Network Models for chemistry

LAMMPS input from lammpstutorials.github.io

Free energy barriers with LAMMPS

Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials

A workshop covering a range of fusion relevant analysis and simulations with OpenMC, DAGMC, Paramak and other open source fusion neutronics tools

train and use graph-based ML models of potential energy surfaces

SchNetPack - Deep Neural Networks for Atomistic Systems

Contains DP800 raw data from different publications

DISPLAΘ is a Julia-based Binary Collision Approximation (BCA) simulator designed to model ion irradiation processes in materials.

Cellular automata code for alloy nucleation and solidification written with Kokkos

Data repository for Alexis Devitre's PhD thesis

Data repository for Wande's manuscript on liquid metal dealloying

Simulating Many Accelerated Strongly-interacting Hadrons

An automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials

A Python Library for Dichromatic Pattern and CSL Visualization

REEF3D

Python/PIP package for Brianna's neutrino spectrum generator

Python repository for TGS processing scripts by Akarsh Aurora

Repository for TGS MATLAB processing scripts

a physics-based simulation tool to replicate the deformation process of cubic microstructures for different OS.

EAM potential calculation

Energy-dependent neutron transport Monte Carlo implemented in Rust.

Some tutorials for DAMASK functionalities

An Cpp version of EVPSC. Considered dislocation movement and twinning. Modified from Kecheng96/EVPSC_CPP