Tags: LAMMPS

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Description

LAMMPS

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
LAMMPS website

Tools (1-20 of 39)

  1. Large language model competition for LAMMPS

    20 Mar 2024 | Contributor(s):: Ethan Holbrook, Saswat Mishra, Juan Carlos Verduzco Gastelum, William Zummo, Kat Nykiel, Alejandro Strachan

    Large language model competition for LAMMPS

  2. Large Language model demonstration for LAMMPS

    08 Jan 2024 | Contributor(s):: Ethan Holbrook, Juan Carlos Verduzco Gastelum, Saswat Mishra, Kat Nykiel, William Zummo, Alejandro Strachan

    Large Language model demonstration for LAMMPS

  3. MIT Atomic-Scale Modeling Toolkit

    Tools | 15 Jan 2008 | Contributor(s):: David A Strubbe, Enrique Guerrero, daniel richards, Elif Ertekin, Jeffrey C Grossman, Justin Riley

    Tools for Atomic-Scale Modeling

  4. Parsimonious neural networks

    Tools | 06 Jul 2020 | Contributor(s):: Saaketh Desai, Alejandro Strachan

    Design and train neural networks in conjunction with genetic algorithms to discover equations directly from data

  5. Refractory Complex Concentrated Alloy Melting Point Calculation

    Tools | 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

  6. Test Tool for Neural Network Reactive Force Field for CHNO systems

    Tools | 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 HE materials

  7. High Entropy Alloy Melting Point Calculation

    Tools | 19 Feb 2020 | Contributor(s):: Zachary D McClure, Saaketh Desai, Alejandro Strachan

    Calculate melting point of high entropy alloys through phase coexistence method

  8. Nanoparticle Shape Lab

    Tools | 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

  9. LAMMPS Input Structure Generator for Functionally Graded Materials (FGM)

    Tools | 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

  10. Polyvalent Nanoparticle Binding Simulator

    Tools | 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

  11. Melting point simulation using OpenKIM

    Tools | 21 Mar 2019 | Contributor(s):: Martin Hunt, Alejandro Strachan, Saaketh Desai

    Computes melting point using a coexistence technique using interatomic potentials from OpenKIM

  12. Jupyter Examples

    Tools | 17 Mar 2019 | Contributor(s):: Martin Hunt

    Users Manual and Examples for Jupyter

  13. LAMMPS driver tool for potential calibration

    Tools | 15 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.

  14. Nanoparticle Assembly Lab

    Tools | 22 Jan 2019 | Contributor(s):: Nicholas Brunk, JCS Kadupitiya, Masaki Uchida, Douglas, Trevor, Vikram Jadhao

    Simulate assembly of nanoparticles into aggregates in physiological conditions.

  15. FunUQ for MD

    Tools | 24 Jun 2018 | Contributor(s):: Sam Reeve, Alejandro Strachan

    Functional uncertainty quantification for molecular dynamics

  16. Simulation based Thermal Design Framework for Accelerated Structure exploration (STEDFAST)

    Tools | 28 Jun 2018 | Contributor(s):: Prabudhya Roy Roy Chowdhury, Adam Sandor Garrett, Colleen Reynolds, Xiulin Ruan

    Perform a genetic algorithm to optimize superlattice structures.

  17. LAMMPS Structure Analysis Toolkit

    Tools | 07 Dec 2017 | Contributor(s):: Nicholas J Finan, Saaketh Desai, Sam Reeve, Alejandro Strachan

    Perform structural analysis on trajectories in LAMMPS dump format

  18. Ions in Nanoconfinement

    Tools | 06 Dec 2017 | Contributor(s):: Kadupitige Kadupitiya, Nasim Anousheh, Suresh Marru, Fox, Geoffrey C., Vikram Jadhao

    The Ions in Nanoconfinement app empowers users to simulate ions confined between material surfaces that are nanometers apart, and extract the associated ionic structure.

  19. LAMMPS Data-File Generator

    Tools | 01 Aug 2017 | Contributor(s):: Carlos Miguel Patiño, Lorena Alzate-Vargas, Chunyu Li, Benjamin P Haley, Alejandro Strachan

    The LAMMPS Data-File Generator generates LAMMPS data files to perform molecular dynamics simulations in LAMMPS using Dreiding or PCFF force field energy terms

  20. Atomistic Polymer Workflow Notebook

    Tools | 19 Oct 2017 | Contributor(s):: Benjamin P Haley

    Run PolymerModeler and nuSIMM tools to create atomistic polymer systems