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Computational Microstructure Physics Group's Projects

basic-pinn icon basic-pinn

Basic implementation of physics-informed neural networks for solving differential equations

handson-ml icon handson-ml

A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in python using Scikit-Learn and TensorFlow.

lammps icon lammps

Public development project of the LAMMPS MD software package

matgenb icon matgenb

Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.

mopdos_from_vasp icon mopdos_from_vasp

Fortran code which computes the molecular orbital projected density of states (MOPDOS) based on VASP calculations (WAVECAR-files) for the full system and a molecule.

openpfc icon openpfc

Open-source solver for phase field crystal type (PFC) type problems.

phasefield icon phasefield

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

q-e_old icon q-e_old

Official mirror of Quantum ESPRESSO

spparks icon spparks

SPPARKS Kinetic and Metropolis Monte Carlo simulator

sqs2poscar icon sqs2poscar

A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.

tensorflow icon tensorflow

An Open Source Machine Learning Framework for Everyone

vasp_xdatcar icon vasp_xdatcar

A python class for parsing VASP XDATCAR from molecular dynamics

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