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aayush sharma's Projects

aiida-kkr icon aiida-kkr

Code containing the AiiDA-KKR plugins and some workflows for the juDFT KKR codes.

atomate icon atomate

atomate is a powerful software for computational materials science and contains pre-built workflows.

atomsk icon atomsk

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

awesome-research icon awesome-research

:seedling: a curated list of tools to help you with your research/life; I built a front end around this repo, please use the link below [This repo is Not Maintained Anymore]

chgnet icon chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

d2l-en icon d2l-en

Interactive deep learning book with multi-framework code, math, and discussions. Adopted at 300 universities from 55 countries including Stanford, MIT, Harvard, and Cambridge.

elate icon elate

ELATE: Elastic tensor analysis

hoomd-blue icon hoomd-blue

Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

hybrid-cuckoo-search icon hybrid-cuckoo-search

Hybrid CS for ultrafast global optimization in materials science and other diverse fields. And, Hybrid CS SCRAPs is a Multinary Solid-Solution Alloy Structure Design Tool

kanapy icon kanapy

Kanapy is a python package for generating three-dimensional synthetic polycrystals based on characteristic microstructural features.

lammps icon lammps

Public development project of the LAMMPS MD software package

lammps-cython icon lammps-cython

Lammps wrapper with cython interface. High performance, MPI, and interactive.

maelas icon maelas

Software to calculate magnetostriction coefficients and magnetoelastic constants

matscipy icon matscipy

Materials science with Python at the atomic-scale

megnet icon megnet

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

must icon must

Multiple Scattering Theory code for first principles calculations

nn-svg icon nn-svg

Publication-ready NN-architecture schematics.

phasefield icon phasefield

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

plasticity icon plasticity

PRISMS Crystal Plasticity and Continuum Plasticity FEM code

pyiron icon pyiron

pyiron - an integrated development environment (IDE) for computational materials science.

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