Classroom Dogmi (ground floor) (CSC - IT Center for Science)
Classroom Dogmi (ground floor)
CSC - IT Center for Science
Life Science Center, Keilaranta 14, Espoo, Finland
Description
This course provides a comprehensive, tutorial-style, hands-on, introductory and intermediate-level treatment of all 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.
Learning outcome
An overview on common methods in computational chemistry and molecular modelling and to related HPC software packages.
Pre-requisites
Working knowledge and some work experience from some branch of computational chemistry.
Lecturers:
Sander Pronk (KTH, Sweden)
Dage Sundholm (University of Helsinki, Finland)
Ilpo Vattulainen (Tampere University of Technology, Finland)
Juha Vaara (University of Oulu, Finland)
Adam Foster (Aalto University, Finland)
Michael Patzschke (University of Helsinki, Finland)
Kari Laasonen (Aalto University, Finland)
Matti Gröhn (Finnish Institute of Occupational Health)
Atte Sillanpää (CSC - IT Center for Science, Finland)
