Mar 19 – 22, 2019
CSC - IT Center for Science
Europe/Helsinki timezone


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 is being prepared, but the main content will be similar to last years and consists of:

  • Classical molecular dynamics, intro + hands on (1 day)
  • Electronic structure theory, intro  + hands on (1 day)
  • Machine learning in chemistry, intro + hands on
  • Special topics: e.g. on Visualization, Enhanced Sampling Techniques, 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.

Note: the School has been overbooked in one week after registration was opened. We are investigating the possibility to accommodate more participants, but it is likely that new registrations will go to waiting list.

Learning outcome

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.


Working knowledge and some work experience from some branch of computational chemistry will be useful. Basic linux skills for hands-on exercises and elementary Python for Machine Learning hands-on. More detailed description of pre-requisites and links for self study.


The timetable can be seen on the left menu and materials accessed at the bottom of the page. For an overview of the event, read a summary blog of the 2019 School. In 2020 the School is likely organized in 10th - 13th March - stay tuned!

Software used in the School

See this link for for installations on your own laptop. The list below is for information.
For MD


Language:  English
Price:         Free of charge

CSC - IT Center for Science
Training room Dogmi, 1st floor
Life Science Center, Keilaranta 14, Espoo, Finland

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 hotel 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 by (1,8 km) is Sokos Hotel Tapiola Garden. Other hotels are located in Helsinki downtown with a frequent and fast bus connection (or metro, if construction is finished) 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.