|Date:||14.03.2017 9:00 - 17.03.2017 15:00|
|Location details:||The event is organised at the CSC Training Facilities located in the premises of CSC at Keilaranta 14, Espoo, Finland. The best way to reach us is by public transportation; more detailed travel tips are available.|
|Lecturers:|| Dr. Alex de Vries Dr. Filippo Federici Dr. Gerrit Groenhof Dr. Heidi Hendrickson Dr. Mikael Johansson Dr. Heikki Käsnänen Dr. Michael Patzschke Dr. Martha Arbayani Zaidan |
|The fee covers all materials, lunches as well as morning and afternoon coffees, dinner and sauna on Thursday.|
The Spring School provides a comprehensive, tutorial-style, hands-on, introductory and intermediate-level treatment to the essential ingredients for molecular modeling and computational chemistry using modern supercomputers. The School program consists of:
- Classical molecular dynamics, intro + hands on (1 day)
- Electronic structure theory, intro + hands on (1 day)
- Visualization with VMD, intro + hands on (0.5 day)
- Machine learning, intro + hands on (0.5 day)
- Special topics: e.g. on QM/MM, scientific writing, etc.
The school is a must for graduate students in the field, providing an overview on "what can be calculated and how should it be done", without forgetting the important aspect of network building.
The learning outcome is to gain an overview of the two main methods in computational chemistry — molecular dynamics and electronic structure calculations — in connection with related HPC software packages and other useful skills in the trade. The workshop is also suited for an intensive crash course (the first two days) in computational modelling and is expected to be useful for students and researchers also in physics, materials sciences and biosciences. The following "Special topics" then build on this foundation.
More detailed program and the materials are available on the PRACE 2017 web site.