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SSCC 2017

Spring School in Computational Chemistry 2017
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.
Language: English
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
Price:
  • Free for Finnish universities, polytechnics and governmental research institutes.
  • Free for others.
The fee covers all materials, lunches as well as morning and afternoon coffees, dinner and sauna on Thursday.
Registration by 13.02.2017
The school is now fully booked (13.1.) but it is still possible to register to the waiting list.. The participants are accepted or placed on a waiting list within a week of registration. Participants are selected based on their applications. We strive to choose those who we expect to benefit the most of the School.
Additional information
This course is part of the PRACE Advanced Training Centre activity. Please visit the PRACE Training portal 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 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.

Find out what the participants said about the School in 2016.

Program

More detailed program is available on the PRACE web site.

If you're interested in the detailed program including presentation slides and hands-on exercises for the 2016 School you can find them here.