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SSCC 2016

Spring School in Computational Chemistry 2016
Date: 09.03.2016 9:00 - 12.03.2016 16:00
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.
Language: english-language
lecturers: Dr. Mikael Johansson Dr. Michael Patzschke Dr. Jaakko Akola Dr. Waldemar Kulig ... to be continued
  • free-price-finnish-academics.
  • free-price-others.
The course materials, lunches as well as morning and afternoon coffees are free of charge.
Participants are selected based on the applications.
Additional Information
This course is part of the PRACE Advanced Training Centre activity, please visit Spring School in Computational Chemistry 2016 @ CSC for further information about the course.

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 solvation modelling, scientific writing, etc.

The workshop 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. The following "Special topics" then build on this foundation.


More detailed program is available on the PRACE web site at : (see Timetable on the left menu)