Molecular Dynamics

Name: Molecular Dynamics
Start: 2026-11-11T15:00:00+00:00
End: 2026-11-11T17:00:00+00:00
Location: LSU Main Library 241A

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When: Wednesday, November 11, 20269:00 AM – 11:00 AM CSTAdd to calendar Google Calendar
Where: LSU Main Library 241AOpen in Maps
Hosted by: Research Computing Services

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Computer Science & Tech

About

Molecular dynamics simulation (MD) is a computational technique that is used to study the dynamics of molecules and atoms over time. The tutorial will discuss the essentials of the classical molecular dynamics simulations. The basic system setup, initialization, and analysis for widely used simulation packages such as LAMMPS, GROMACS, AMBER and NAMD on LONI and LSU HPC clusters will be reviewed.

Prerequisites:Basic knowledge of HPC environment and Linux is preferred but not required.

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