Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
-
Updated
May 17, 2024 - Fortran
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
Development of the Failure Criteria for Composites using ABAQUS Subroutines (UMAT/VUMAT)
Düsseldorf Advanced Material Simulation Kit (Read-only mirror)
DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages
Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
A code for generating irreducible site-occupancy configurations
Official Repository of the Optados code
EXCEED-DM: EXtended Calculation of Electronic Excitations for Direct detection of Dark Matter
Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)
A code for evolutionary optimization of PAW datasets especially for high-pressure applications
A Kinetic Monte Carlo super-Lattice code designed to simulate with atomic resolution the kinetics of processes (e.g., PVD, CVD, laser annealing) involving elements, alloys and compounds characterized by the sp3 bond symmetry.
Convert rotation representations (Fortran version)
Fortran code applying the finite element method to run three-dimensional calculations based on self-consistent field theory.
Wagoner / Kawano BBN code modifications to measure abundance
Nonlinear MetaMaterials MPI solver
Code for applying symmetry-adapted Gaussian process regression (SA-GPR) models to predict tensor properties of materials and molecules
Code for performing lattice-based Monte Carlo simulations of the Bragg-Williams model
This package provides a convenient set of Python wrappers for a set of routines used to perform Bayesian analysis on quasi-elastic neutron-scattering data.
Fortran code applying the finite differences method to run one-dimensional calculations based on self-consistent field theory
Add a description, image, and links to the materials-science topic page so that developers can more easily learn about it.
To associate your repository with the materials-science topic, visit your repo's landing page and select "manage topics."