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sscc-2020

Spring School in Computational Chemistry 2020
Date: 10.03.2020 9:00 - 13.03.2020 14:00
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. Filippo Federici Canova
Aalto University
Finland
Dr. Mikael Johansson
University of Helsinki
Finland
Dr. Luca Monticelli
IBCP (CNRS)
Lyon
France
Dr. Michael Patzschke
Helmholtz-Zentrum Dresden-Rossendorf
Germany
Prof. Patrick Rinke
Aalto University
Finland

Price:
  • Free for Finnish universities, universities of applied sciences and governmental research institutes.
  • Free for others.
The course materials, lunches as well as morning and afternoon coffees, dinner and sauna on Thursday are free of charge.
Registration by 02.02.2020 12:00
We strive to notify registered people withing two weeks whether they have been accepted or placed on the waiting list to enable arranging travels and accommodation as early as possible. Participants are selected based on the data provided in the application form. We aim to select those who would benefit the most from the School.
Additional information
This course is part of the PRACE Training Centres (PTCs) activity. Please visit the event page at PRACE Training portal .
For content please contact: nino.runeberg@csc.fi
For practicalities: patc@csc.fi

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)
  • Machine learning in chemistry, intro + hands on (0.5 day)
  • Special topics like Visualization with VMD, Enhanced Sampling, WF analysis 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. Here's a blog post from last the 2019 School.

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.

Basic linux skills and elementary concepts of python programming will be very required. The participants are encouraged to familiarize themselves with these topics before the School. The main website will provide links to suitable self study materials.

Program

A more detailed program and registration is available on the PRACE event page:

events.prace-ri.eu/e/CSC_Spring_School_2020


Projects and Collaboration Networks
Service Break
Tapahtumat
Projects and Collaboration Networks
Service Break
Tapahtumat