LAMMPS, Large-scale Atomic/Molecular Massively Parallel Simulator, is a classical molecular dynamics code with a focus on materials modeling.
LAMMPS has potentials for solid-state materials (metals, semiconductors) and soft matter (biomolecules, polymers) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale.
Launch LAMMPS tool
MIT Atomic-Scale Modeling Toolkit
15 Jan 2008 | | Contributor(s):: daniel richards, Elif Ertekin, Jeffrey C Grossman, David Strubbe, Justin Riley
Tools for Atomic-Scale Modeling
MATE 370 Virtual Lab: Exploring Phase Transformations Through nanoHUB Nanomaterial Mechanics Explorer Tool
24 Sep 2020 | | Contributor(s):: Mohsen B Kivy, Crystal Ipong
This lab explores the kinetics of phase transformation using nanoHUB tools.
Refractory Complex Concentrated Alloy Melting Point Calculation
25 May 2020 | | Contributor(s):: Zachary D McClure, Saaketh Desai, Alejandro Strachan
Calculate melting point of BCC-type high entropy alloys through phase coexistence method
Test Tool for Neural Network Reactive Force Field for CHNO systems
30 Apr 2020 | | Contributor(s):: Pilsun Yoo, Saaketh Desai, Michael N Sakano, Peilin Liao, Alejandro Strachan
Run molecular dynamics and Do testing using the neural network reactive force field for nitramines
High Entropy Alloy Melting Point Calculation
19 Feb 2020 | | Contributor(s):: Zachary D McClure, Saaketh Desai, Alejandro Strachan
Calculate melting point of high entropy alloys through phase coexistence method
Nanoparticle Shape Lab
23 Dec 2019 | | Contributor(s):: JCS Kadupitiya, Nicholas E. Brunk, Vikram Jadhao
Simulates the low-energy shapes of nanocontainers over a wide range of solution conditions
LAMMPS Input Structure Generator for Functionally Graded Materials (FGM)
17 Nov 2019 | | Contributor(s):: Md Shajedul Hoque Thakur, Mahmudul Islam, Abdullah Amin, Satyajit Mojumder, Md Mahbubul Islam
Generates initial geometries of Functionally Graded Materials (FGM) for LAMMPS simulations
Is there a way to add voronoi/atom compute to lammps?
Closed | Responses: 1
I am trying to monitor the average stress on each atom as a graphene sheet gets pulled apart. I planned on doing this by dividing the force on each atom by the volume of the atoms. However the...
Polyvalent Nanoparticle Binding Simulator
10 Apr 2019 | | Contributor(s):: Nilsson, Lauren, JCS Kadupitiya, Vikram Jadhao
Simulates the binding of ligand-decorated nanoparticles to cell membrane driven by ligand-cell-receptor attraction
Melting point simulation using OpenKIM
21 Mar 2019 | | Contributor(s):: Martin Hunt, Alejandro Strachan, Saaketh Desai
Computes melting point using a coexistence technique using interatomic potentials from OpenKIM
17 Mar 2019 | | Contributor(s):: Martin Hunt
Users Manual and Examples for Jupyter
Structural Analysis for Molecular Dynamics Trajectories
03 Mar 2019 | | Contributor(s):: Nicholas J Finan, Saaketh Desai, Sam Reeve, Alejandro Strachan
This tool reads in LAMMPS trajectories and performs the following analysis: Radial Distribution Function (RDF), X-Ray Diffraction (XRD), Vibrational Density of States, and (More to Come!). By default the tool requires trajectory files to be input by the user however there are some...
LAMMPS driver tool for potential calibration
24 Feb 2019 | | Contributor(s):: Saaketh Desai, Alejandro Strachan
Calculates basic properties of interest with a given interatomic potential and is used to drive the calibration of the potential.
Nanoparticle Assembly Lab
28 Jan 2019 | | Contributor(s):: Nicholas Brunk, JCS Kadupitiya, Masaki Uchida, Douglas, Trevor, Vikram Jadhao
Simulate assembly of nanoparticles into aggregates in physiological conditions.
Tabulting potencial LAMMPS
I have a potential for a molecule which depends on (r, theta, phi), also at different part cell has different variable, is it possible to tabulate such potential in...
Molecular Dynamics Simulation of Displacement Cascade in Molybdenum
06 Dec 2018 | | Contributor(s):: Gyuchul Park, Alejandro Strachan
Displacement cascade in molybdenum was conducted by using Molecular Dynamics (MD) Simulation method. LAMMPS tool was used to run the simulation at nanoHUB. Three primary questions were answered from the simulation:1. The number of displaced atoms/interstitials with respect to time when the...
FunUQ for MD
22 Oct 2018 | | Contributor(s):: Sam Reeve, Alejandro Strachan
Functional uncertainty quantification for molecular dynamics
Simulation based Thermal Design Framework for Accelerated Structure exploration (STEDFAST)
09 Aug 2018 | | Contributor(s):: Prabudhya Roy Roy Chowdhury, Adam Sandor Garrett, Colleen Reynolds, Xiulin Ruan
Perform a genetic algorithm to optimize superlattice structures.
LAMMPS Structure Analysis Toolkit
01 Aug 2018 | | Contributor(s):: Nicholas J Finan, Saaketh Desai, Sam Reeve, Alejandro Strachan
Perform structural analysis on trajectories in LAMMPS dump format