Hands-on Molecular Dynamics

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

Audience: Aalto employees and students looking for extensive intro into GPU computing.

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., COMP/Department of Applied Physics, Aalto University

Time, date: all four lectures in March 2016:

  • Fri 4.3 9:30-12:30
  • Fri 11.3 9:30-12:30
  • Fri 18.3 9:30-12:30
  • Tue 22.3, 9:30-12:30

Place: Otaniemi, Otakaari 1, U7 (that brand new auditorio next to the student’s hub in the main building, also know as U135a)

Cost: Free of charge for Aalto employees and students.

Registration: open for the registration

Credits (opintopisteet): Course certificate available on request to be shared at very end of the course. 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