Feb-March 2020 / Hands-on Molecular Dynamics with LAMMPS

Part of Scientific Computing in Practice lecture series at Aalto University.

Audience: Employees and students looking for the extensive intro into Molecular Dynamics simulations with LAMMPS.

About the course: The course covers the basic theoretical concepts of molecular dynamics, such as equation of motion, numerical integration and interaction models, and the way these are applied in practice to real problems. The tutorial session walk the students through typical study cases, in simplified form, and shows how these are cracked using the LAMMPS simulation package. It will be shown how to combine simulation and analysis strategies in order to study the atomic scale behaviour of fluids, solids and mixed systems.

Lecturer: Filippo Federici, D. Sc., Department of Applied Physics, Aalto University

Time, date:

  • Mon 24.2, 10:00-13:00
  • Wed 26.2, 10:00-13:00
  • Mon 2.3, 10:00-13:00
  • Wed 4.3, 10:00-13:00

Place: Otaniemi, Otakaari 1, U135a (the auditorio next to the student’s hub/cafeteria in the main building)

Cost: Free of charge for FGCI consortium members and Aalto employees, students.

Registration: open for the registration

Credits (opintopisteet): Credits available for the Aalto students and course certificate can be provided on request for the outsiders. Since the main focus of the course is learning through experience, the students will be required to perform simulations for homework and hand in result reports weekly. Additional credits can be earned with project work. Full course hours correspond roughly to 1 ECTS, plus another one for the project work, if done.

Other comments: Participants will be provided with access to Triton for running examples. Participants are expected to bring their own laptops. We will use SSH for Triton connection. One can follow the theoretical part without a laptop, though if you want to try the tutorial you’d better have one.

Additional course info at: filippo.federici -at- aalto.fi / ivan.degtyarenko -at- aalto.fi