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lammps

LAMMPS_CODE_edge_dislocation

lammps-1

TensorFlow code trained on LAMMPS peridynamics simulations

lammps-2

Calculating Poisson's Ratio of large schwarzites using LAMMPS

lammps-input-files

LAMMPS inputs and data files

lammps-turorials

Scripts, files and codes for LAMMPS tutorials

lammpsht

A python package to run high throughput simulations in lammps

lammpsstructures

Creating elastic structures using LAMMPS

lammps_education_gcmc_win

lammps_to_pylammps

simple tool for converting lammps input scripts to pylammps commands

lattice-manipulation-routines

lattice_parameter_lammps

compute changing UO2 by temperature with lammps, using this result calculate lattice parameters

ldm_membrane_for_desalination_molecular_dynamics_studies

This repository includes the LAMMPS input and data file used for my PhD Project from 2016 to 2020. Please see the README.md file for more information.

maml

Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

mcmdr

Hybrid Monte Carlo - Molecular Dynamics relaxation scheme for a given structure using LAMMPS

md

Radiation damage simulations with LAMMPS

md-for-dislocation

create disloction for crystal via python and lammps

mddatasetbuilder

A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.

mdsimulation_with_atomview

Molecular Dynamics Simulation of Interaction of Dislocation and Defects, Atom View is to visualize the movement of interaction at certain slipping system.

md_impact_tests

Contains the model used for impact simulations in the article Dewapriya and Miller, Comput. Mater. Sci., Vol. 195, 110504 (2021).

metallicmuscles

Atomistic simulation of metallic muscles using LAMMPS

misa-md

molecular dynamics (MD) simulation of 10^13 atoms.

mlaq-generator

Generative search algorithm for molecular dynamics using CNN and LAMMPS.

moleculardynamicssimulation

My masters project 2021

mse485-molecular-dynamics-battery-sim-

MSE 485 Final Project: simulating Lithium based battery charging process using monte carlo method

nano-simulation

Molecular dynamics simulation of nano Structures, Materials and Properties using LAMMPS software.

pathdetect-som

A tool for the analysis of pathways sampled in molecular dynamics simulations based on Self-Organizing Maps (SOM)

phase-field-modeling-of-sintering

phasefield

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

phasefieldcodes

phd-code

This repository contains the Code for my PhD including any Python or LAMMPS scripts