Topic: atomistic-modelling Goto Github
Some thing interesting about atomistic-modelling
Some thing interesting about atomistic-modelling
atomistic-modelling,Modulated automation of cluster expansion based on atomate2 and Jobflow
Organization: cedergrouphub
Home Page: https://cedergrouphub.github.io/WFacer/
atomistic-modelling,Domain ontology for atomistic and electronic modelling
Organization: emmo-repo
atomistic-modelling,KIMERA: A Kinetic Monte Carlo code for Mineral Dissolution
User: hegoimanzano
atomistic-modelling,ASD2VTK is a Python tool that enables the conversion of output data from UppASD simulations to VTK files for easy visualization and post-processing in Paraview.
User: karpathyan
atomistic-modelling,Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations
User: morrowchem
atomistic-modelling,This repository includes a notebook to run the open-source materials modeling package Quantum Espresso on Google Colab.
User: sedaoturak
Home Page: https://www.quantum-espresso.org/
atomistic-modelling,Code and experiments accompanying our paper Injecting Domain Knowledge from Empirical Interatomic Potentials to Neural Networks for Predicting Material Properties at NeurIPS 2022
User: shuix007
atomistic-modelling,This repository contains the LAMMPS and python scripts created from the ground-up, along with the most important data, to conduct a thorough analysis of the Thermal Rectification (TR) in semi-stochastically generated atomistic models of polycrystalline graphene with graded grain size variation - using Molecular Dynamics & mapping of phonon modes.
User: simantalahkar
Home Page: https://authors.elsevier.com/a/1iCb%7E1zUAW0L5
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