koushikpalnu

koushikpalnu's Stars

• QijingZheng/Hefei-NAMD

  ab-initio nonadiabatic molecular dynamics program

  Language:Fortran9351

• QijingZheng/VaspPoscarMayavi

  Use 3D visualization software Mayavi to visualize VASP POSCAR file.

  Language:Python2816

• QijingZheng/VASP_FermiSurface

  Language:Python2410

• QijingZheng/VaspBandUnfolding

  A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.

  Language:Python19889

• MaterSim/CMS

  Some ongoing projects in Zhu's group

  Language:HTML266

• tilde-lab/awesome-materials-informatics

  Curated list of known efforts in materials informatics, i.e. in modern materials science

  36784

• rohskopf/modecode

  Massively parallel vibrational mode calculator.

  Language:C++228

• ldwillia/SL3ME

  A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers

  Language:Python2814

• keeeto/SLMETools

  Tools required to calculate the SLME of materials

  Language:Python115

• mcgalcode/pylattica

  A simple framework for prototyping lattice evolution simulations e.g. cellular automata, lattice gas simulations, lattice Monte Carlo etc.

  Language:Python102

• prisms-center/CASMcode

  First-principles statistical mechanical software for the study of multi-component crystalline solids

  Language:C++10569

• caneparesearch/kMCpy

  Language:Python95

• environ-developers/Environ

  A fortran package and library for continuum embedding calculations in materials and molecules

  Language:Fortran165

• zjwang11/VASP2KP

  to compute kp parameters and Lande g-factors directly from the VASP wavefunctions. Ref: Zhang et al., Chin. Phys. Lett. 40, 127101 (2023) https://doi.org/10.1088/0256-307X/40/12/127101

  Language:MATLAB183

• zjwang11/IRVSP

  IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10.1016/j.cpc.2020.107760.

  Language:Makefile10337

• SMTG-Bham/galore

  Gaussian and Lorentzian smearing of simulated spectra

  Language:Python3412

• SMTG-Bham/sumo

  Heavyweight plotting tools for ab initio calculations

  Language:Python19277

• SMTG-Bham/doped

  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-friendly yet powerful and fully-customisable manner.

  Language:Python12931

• SMTG-Bham/ShakeNBreak

  Defect structure-searching employing chemically-guided bond distortions

  Language:Python7917

• r2stanton/pyrovskite

  A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.

  Language:Python193

• aronwalsh/MLforMaterials

  Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)

  Language:Jupyter Notebook527

• vera-weili/perovskite_ML

  Language:Jupyter Notebook72

• yuzie007/upho

  Band unfolding for phonons

  Language:Python4822

• ziatdinovmax/gpax

  Gaussian Processes for Experimental Sciences

  Language:Python20225

• Chen-Cai-OSU/awesome-equivariant-network

  Paper list for equivariant neural network

  980103

• yanshengjia/ml-road

  Machine Learning Resources, Practice and Research

  Language:Python3.3k1.2k

• fchollet/deep-learning-with-python-notebooks

  Jupyter notebooks for the code samples of the book "Deep Learning with Python"

  Language:Jupyter Notebook18.4k8.6k

• josephmisiti/awesome-machine-learning

  A curated list of awesome Machine Learning frameworks, libraries and software.

  Language:Python65.4k14.6k

• usccolumbia/mtransformer

  Materials Transformers

  Language:Python236

• marcharper/python-ternary

  :small_red_triangle: Ternary plotting library for python with matplotlib

  Language:Python725156