This course 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. Standard approaches such as classical and ab initio molecular dynamics, electronic structure models as well as several more special topics are explained and exemplified by prominent researchers in the field.
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.
There will be a poster session. All participants are encouraged to bring a poster. It will be useful in networking with fellow participants and lecturers. The participants get to vote for the best poster and the winner will receive a small prize.
To navigate the programme, use Timetable on the left menu. Please be aware that there are still programme changes occurring!
To gain an overview of 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.
Working knowledge and some work experience from some branch of computational chemistry.
- Dr. Jaakko Akola, Tampere University of Technology, Finland
- Dr. Filippo Federici Canova, Aalto University, Finland
- Dr. Heidi Henrickson, Aalto University, Finland
- Dr. Mikael Johansson, University of Helsinki, Finland
- Dr. Waldemar Kulig, Tampere University of Technology, Finland
- Dr. Martti Louhivuori, CSC - IT Center for Science, Finland
- Dr. Kimmo Mattila, CSC - IT Center for Science, Finland
- Dr. Michael Patzschke, Helmholtz-Zentrum Dresden-Rossendorf, Germany
- Dr. Atte Sillanpää, CSC - IT Center for Science, Finland
- Dr. Nino Runeberg, CSC- IT Center for Science, Finland
- Dr. Alex de Vries, University of Groningen, Netherlands
- Dr. Martha Arbayani Zaidan, Aalto University, Finland
Price: Free of charge
How to reach us:
CSC is located in Keilaniemi, Espoo, 10 km west of the Helsinki City Center. Detailed information is available here.
We recommend choosing a few hotels that are most close to our premises. The nearest hotel is Radisson Blu Espoo, which is in a walking distance (only 500 m) from CSC. Another hotel close to the venue (1,8 km) is Sokos Hotel Tapiola Garden. Also, Hanasaari Hotel located in the midst of the archipelago between the Helsinki City Center and CSC in 3,5 km distance by walk or by bus. Other hotels are in Helsinki' downtown with a frequent and fast bus connection to Keilaniemi. Please note, that there are no special rates for participants at any hotels.
If you have any questions, please click on the support link on the left to send an e-mail to the local organizers.