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Kai Zhao's Projects

abop_lammps icon abop_lammps

Collection of some analytical bond order potentials ( listed in the LAMMPS format) from literature

agility icon agility

Repository for the Atomistic Grain Boundary and Interface Utility.

agpd icon agpd

SOAP and MTP as Machine-learned Alloy Models Paper

aimsgb icon aimsgb

Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)

albany icon albany

Sandia National Laboratories' Albany multiphysics code

apsogeneam icon apsogeneam

EAM Potential Generator with Adaptive Particle Swarm Optimization (APSO) using MPI Parallelization

atomeye icon atomeye

Modified fork of Ju Li's atomistic configuration viewer (http://li.mit.edu/Archive/Graphics/A/)

atomify icon atomify

Real time molecular dynamics in the browser using LAMMPS

atomistic icon atomistic

Build atomistic structures such as grain boundaries with Python

atomistic-structure-for-arbitrary-polycrystaline-graphene icon atomistic-structure-for-arbitrary-polycrystaline-graphene

Inspired by the algorithm proposed by Ophus et. al. in their paper titled "Large-Scale Experimental and Theoretical Study of Graphene Grain Boundary Structures", 2015, this study is aimed to create a novel python script to generate atomistic structures of polycrystalline graphene with arbitrary grain distributions like gradient grain size

atomvision icon atomvision

Deep learning framework for atomistic image data

bgolearn icon bgolearn

A Bayesian global optimization package for material design | Adaptive Learning | Active Learning

cabanamd icon cabanamd

Molecular dynamics proxy application based on Cabana

cadd icon cadd

Coupled Atomistic and Discrete Dislocations Method

cellular-automata-grain-growth icon cellular-automata-grain-growth

CA grain growth using the Cellular Automata method with additional functionalities such as inclusions, CA method with shape control algorithm, substructure and Dual phase CA with grain selection and finally displaying the grain boundaries.

cleaving icon cleaving

Lammps Package for cleaving calculations USER-PACKAGE

complexiondrx icon complexiondrx

A model for dynamic recrystallization in copper with a grain boundary complexion nucleation mechanism

cp2k_editor icon cp2k_editor

CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input file used in CP2K.

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