top of page

MedeA LAMMPS: Robust Gateway to Molecular Dynamics

MedeA LAMMPS: Robust Gateway to Molecular Dynamics

In this training session, take a first-hand look at:


  • The collection of interatomic potentials in MedeA, including those for metals and alloys, semiconductors, ionic systems, and organic systems, as well as the reactive potentials.

  • The steps to export and edit an existing potential (frc) file, and that for importing any external potential parameters into MedeA

  • The MedeA Deposition, Deformation, and Mesoscale modules that employ interatomic potentials for simulating a wide variety of materials processes and properties


Tutorials:


  • Introduction to MedeA LAMMPS: Learn how to set up and run LAMMPS molecular dynamics simulations with MedeA

  • Importing External Potential Parameters into MedeA: Learn how to import external potential parameters and files into MedeA

  • Deposition of O2 on a Si Surface with Reactive Potentials: Learn how to perform deposition simulation with reactive potentials using MedeA Deposition

  • Cold Spray of Cu Nanoparticles on the Cu Surface: Learn how to simulate the cold spray of metal nanoparticles onto metal surfaces with MedeA Deposition

  • Plastic Deformation and Fracture of Single-walled Carbon Nanotube: Learn how to set up and run plastic deformation and fracture simulations with MedeA Deformation

  • Mesoscale Simulations of Water and Octane: Learn how to set up and run a mesoscale simulation of a mixture with MedeA

  • Self-assembly of Lipid Bilayer: Learn how to run a mesoscale molecular dynamics simulation of self-assembly on a time-scale of a microsecond with MedeA

  • Mechanical Properties of a Thermoset Through Mesoscale Simulations: Learn how to predict mechanical properties of a thermoset through mesoscale simulations

training-02-recording

Video

MedeA LAMMPS: Robust Gateway to Molecular Dynamics

Register to view

training-02-slides-pdf

Slides (PDF)

MedeA LAMMPS: Robust Gateway to Molecular Dynamics

Register to view

training-02-tutorial-01-pdf

Tutorial (PDF)

Introduction to MedeA LAMMPS

Register to view

training-02-tutorial-02-pdf

Tutorial (PDF)

Importing External Potential Parameters into MedeA

Register to view

training-02-tutorial-03-pdf

Tutorial (PDF)

Deposition of O2 on a Si Surface with Reactive Potentials

Register to view

training-02-tutorial-03-zip

Data Files (ZIP)

Deposition of O2 on a Si Surface with Reactive Potentials

Register to view

training-02-tutorial-04-pdf

Tutorial (PDF)

Cold Spray of Cu Nanoparticles on the Cu Surface

Register to view

training-02-tutorial-04-zip

Data Files (ZIP)

Cold Spray of Cu Nanoparticles on the Cu Surface

Register to view

training-02-tutorial-05-pdf

Tutorial (PDF)

Plastic Deformation and Fracture of Single-walled Carbon Nanotube

Register to view

training-02-tutorial-05-zip

Data Files (ZIP)

Plastic Deformation and Fracture of Single-walled Carbon Nanotube

Register to view

training-02-tutorial-06-pdf

Tutorial (PDF)

Mesoscale Simulations of Water and Octane

Register to view

training-02-tutorial-06-zip

Data Files (ZIP)

Mesoscale Simulations of Water and Octane

Register to view

training-02-tutorial-07-pdf

Tutorial (PDF)

Self-assembly of Lipid Bilayer

Register to view

training-02-tutorial-07-zip

Data Files (ZIP)

Self-assembly of Lipid Bilayer

Register to view

training-02-tutorial-08-pdf

Tutorial (PDF)

Mechanical Properties of a Thermoset Through Mesoscale Simulations

Register to view

training-02-tutorial-08-zip

Data Files (ZIP)

Mechanical Properties of a Thermoset Through Mesoscale Simulations

Register to view

Ray Shan
Director of Support

Ray is a computational materials scientist with expertise in atomistic methods, a LAMMPS molecular dynamics code developer, and a support scientist enthusiastic about MedeA

bottom of page