LAMMPS inputs and data files

LAMMPS input from lammpstutorials.github.io

PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.

Convert files from the ATB repository to LAMMPS format

Examples and utilities for molecular dynamics simulations

A simple, curated web interface for browsing and viewing LAMMPS example files and potential files from the repo.

LAMMPS tutorials for both beginners and advanced users

A LAMMPS template for the molecular dynamics simulation of nanometric cutting of 3C-SiC using a diamond tool with a zero rake angle and a clearance angle of 10°

Performed molecular dynamics simulation of Argon particles in FCC arrangement.

This tool has been created to understand the single phase stability of high entropy alloys, tool can also be used to create high entropy alloy model for molecular dynamics simulation in LAMMPS. I will try to develop this code with new features in future. The code language is created with Python 3 language.

LAMMPS input files for vapour-solvated polymer brush simulations

Pre and post processing scripts for running lammps simulations through slurm. Written primarily in Python and Bash

Thermal properties of liquid entrapped between hybrid wettability surface, Computational Materials Science, Volume 244, 2024, 113232, ISSN 0927-0256,

A LAMMPS template for the molecular dynamics simulation of nanometric cutting of 3C-SiC using a diamond tool with a negative rake angle of 15° and a clearance angle of 10°

Molecular dynamics simulations of GaN nanobelts and BaTiO3 for piezoelectric effects and analysis using LAMMPS software at IIT Hyd

M.Tech Project QMEL LAB IIT Kharagpur

A LAMMPS template for the molecular dynamics simulation of nanometric cutting of 3C-SiC using a diamond tool with a negative rake angle of 25° and a clearance angle of 10°

A LAMMPS template for the molecular dynamics simulation of nanometric cutting of 3C-SiC using a diamond tool with a negative rake angle of 30° and a clearance angle of 10°