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DTSTAMP:20260628T013741Z
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DESCRIPTION:This course provides a comprehensive\, tutorial-style\, hands-o
 n\, introductory and intermediate-level treatment to the essential ingred
 ients for molecular modeling and computational chemistry using modern supe
 rcomputers. Standard approaches such as classical and ab initio molecular 
 dynamics\, electronic structure models as well as several more special top
 ics are explained and exemplified by prominent researchers in the field. T
 he workshop is a must for graduate students in the field\, providing an ov
 erview on "what can be calculated and how should it be done"\, without for
 getting the important aspect of network building.\nThere will be a poster
  session on Tuesday. 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.Learning outcome\nGain an overview of two main methods in com
 putational chemistry—molecular dynamics and electronic structure calcula
 tions—in connection with related HPC software packages and other useful 
 skills in the trade.Pre-requisites\nWorking knowledge and some work experi
 ence from some branch of computational chemistry.Lecturers:Dr. Alex de Vri
 es\, University of Groningen\, NetherlandsDr. Mikael Johansson\, Technisch
 e Universität München\, Germany Dr. Peter Spijker\, Aalto University\, 
 FinlandDr. Antti Karttunen\, Aalto University\, FinlandDr. Waldemar Kulig\
 , Tampere University of Technology\, FinlandProf. Adam Foster\, Aalto Univ
 ersity\, FinlandDr. Michael Patzschke\, Helmholtz-Zentrum Dresden-Rossendo
 rf\, Germany\nDr. Atte Sillanpää\, CSC - IT Center for Science\, Finland
 \nDr. Nino Runeberg\, CSC- IT Center for Science\, Finland\nDr. Martti Lou
 hivuori\, CSC - IT Center for Science\, FinlandPrice: Free of charge\n \n
 \nhttps://events.prace-ri.eu/event/338/
SUMMARY:Spring School in Computational Chemistry 2015 @ CSC
URL;VALUE=URI:https://events.prace-ri.eu/event/338/
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