Luo Guangxiong's repositories
DB-GPT
AI Native Data App Development framework with AWEL(Agentic Workflow Expression Language) and Agents
tuning_playbook
A playbook for systematically maximizing the performance of deep learning models.
pyiron
pyiron - an integrated development environment (IDE) for computational materials science.
mala
Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
dpti
A Python Package to Automate Thermodynamic Integration Calculations for Free Energy
smol
Statistical Mechanics on Lattices
DAMASK
Düsseldorf Advanced Material Simulation Kit (Read-only mirror)
ExaCA
Cellular automata code for alloy nucleation and solidification written with Kokkos for GPU utilization
SPaMD
SPaMD (Scalable Parallel Materials/Molecular Design/Dynamics Studio) is an integrated software platform developed by the research group of Professor Ruifeng Zhang at Beihang University in the past five years. It is dedicated to the modeling, calculation/simulation, analysis and visualization of materials at atomic scale.
mcsolver
A user friendly tools using Monte Carlo simulations for estimation of Curie temperature
ACEpotentials.jl
Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
CASMcode
First-principles statistical mechanical software for the study of multi-component crystalline solids
MuST
Multiple Scattering Theory code for first principles calculations
heusler
Analysis tools from Spring 2020 research
Simple-1D-CVM-Demos
Demo programs to illustrate 1-D Cluster Variation Method (CVM) configuration variables and associated free energy, using Python turtles.
ParaDiS
ParaDiS (Parallel Dislocation Simulator) is a massively parallel Discrete Dislocation Dynamics simulation tool to simulate motion and interaction of large ensembles of dislocations
MoDELib
MoDELib is the Mechanics of Defects Evolution Library, a c++ template library for computer simulations of defects in crystalline materials.
MyElas
An automatized tool-kit for high-throughput calculation, post-processing and visualization of elasticity and related properties of solids
Spatially-Resolved-Stochastic-Cluster-Dynamics-SRSCD-simulator-with-Qianran-Yu-
The SRSCD simulation package contains a computer code written in C++. It is an alternative mean field rate theory model that dynamically simulates microstructure (as clusters) evolutions of multi-species systems in solid materials in 1-D space. We have used the code to study Zr-H and W-H system.
High-entropy-alloy-calculation-tool
根据高熵合金成分计算其混合熵、混合焓、原子半径差及价电子浓度的小工具
MMonCa
Source code of the Kinetic Monte Carlo MMonCa, available for diffusion of dopants in crystalline materials and simulation of epitaxial growth
misa-scd
MISA SCD: Parallel Stochastic Cluster Dynamics Simulation Software for Reactor Structural Material
mcphase
A Mean-field monte-Carlo simulation program for magnetic PHASE diagrams and excitations.
pycalphad
CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.
MISASCD-Doc
User documentation for MISA-SCD
CVM
Tools set for cluster variation
srscd
Spatially Resolved Stochastic Cluster Dynamics