peizong

alloy2vec

Code-Monte-Carlo-SRO

DIST-Toolkit

Generate atomic structures for common defects in materials

evaluation-performance

NYU-HPC-Assistant

quantum-machine-learning-metallurgy

Simulated-Annealing-Metropolis-MC-

This code can be used to simulate the order-disorder transition in multi-component alloys (high-entropy alloys). The code takes simulated annealing algorithm and Ising-model like Hamiltonian as energy input. The code can give specific heat curve, transition temperature and temperature dependent long-range (LRO) and short-range order (SRO) parameters. The code is written in C++ code. In order to use the code the users need to firstly install ATAT package of Dr. A. van de Walle of Brown University.

test_git

WL-CE

Wang-Landau Monte Carlo algorithm with Cluster-Expansion Hamiltonian

peizong/DIST-Toolkit

Generate atomic structures for common defects in materials

peizong/alloy2vec

peizong/Simulated-Annealing-Metropolis-MC-

This code can be used to simulate the order-disorder transition in multi-component alloys (high-entropy alloys). The code takes simulated annealing algorithm and Ising-model like Hamiltonian as energy input. The code can give specific heat curve, transition temperature and temperature dependent long-range (LRO) and short-range order (SRO) parameters. The code is written in C++ code. In order to use the code the users need to firstly install ATAT package of Dr. A. van de Walle of Brown University.

peizong/Code-Monte-Carlo-SRO

peizong/WL-CE

Wang-Landau Monte Carlo algorithm with Cluster-Expansion Hamiltonian

peizong/evaluation-performance

peizong/NYU-HPC-Assistant

peizong/quantum-machine-learning-metallurgy

peizong/test_git