Name: Computational Microstructure Physics Group
Type: User
Company: New Mexico Institute of Mining and Technology
Bio: My group uses first principles DFT, Molecular Dynamics (MD) and phase-field simulations to develop new metallic alloy systems.
Location: Socorro, NM
Blog: https://www.researchgate.net/profile/Deep_Choudhuri
Computational Microstructure Physics Group's Projects
ase interface for Quantum Espresso
Basic implementation of physics-informed neural networks for solving differential equations
Notebooks for learning deep learning
A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in python using Scikit-Learn and TensorFlow.
Public development project of the LAMMPS MD software package
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
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.
Open-source solver for phase field crystal type (PFC) type problems.
PRISMS-PF: An Open-Source Phase-Field Modeling Framework
Phonon code
Official mirror of Quantum ESPRESSO
SPPARKS Kinetic and Metropolis Monte Carlo simulator
A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.
An Open Source Machine Learning Framework for Everyone
A python class for parsing VASP XDATCAR from molecular dynamics