BEGIN:VCALENDAR
VERSION:2.0
PRODID:icalendar-ruby
CALSCALE:GREGORIAN
BEGIN:VEVENT
DTSTAMP:20260705T153309Z
UID:880b08b6-e082-4390-8c6d-061e7427f44d
DTSTART:20180313T070000Z
DTEND:20180316T140000Z
DESCRIPTION:Description\n\nThe Spring School provides a comprehensive\, tut
 orial-style\, hands-on\, introductory and intermediate-level treatment to 
 the essential ingredients for molecular modeling and computational chemist
 ry using modern supercomputers. The School program is being prepared\, but
  the main content will be similar to last years and consists of:\n\nClassi
 cal molecular dynamics\, intro + hands on (1 day)\n	Electronic structure t
 heory\, intro  + hands on (1 day)\n	Machine learning in chemistry\, intro
  + hands on\n	Special topics: e.g. on QM/MM\, Visualization\, Enchanced Sa
 mpling Techniques\, etc. \nThe school is a must for graduate students in t
 he field\, providing an overview on "what can be calculated and how should
  it be done"\, without forgetting the important aspect of network building
 .\n\nLearning outcome\n\nThe learning outcome is to gain an overview of th
 e two main methods in computational chemistry — molecular dynamics and e
 lectronic structure calculations — in connection with related HPC softwa
 re packages and other useful skills in the trade. The workshop is also sui
 ted for an intensive crash course (the first two days) in computational mo
 delling and is expected to be useful for students and researchers also in 
 physics\, materials sciences and biosciences. The following "Special topic
 s" then build on this foundation.\n\nPrerequisites\n\nWorking knowledge an
 d some work experience from some branch of computational chemistry will be
  useful. Basic linux skills for hands-on exercises and elementary Python f
 or Machine Learning hands-on. More detailed description of pre-requisites 
 and links for self study.\n\nProgramme\n\nSee Timetable on the left menu o
 r comments from participants in 2017.\n\nLecturers:  \n\nDr. Filippo Fede
 rici Canova\, Aalto University\, Finland\n	Dr. Mikael Johansson\, Univers
 ity of Helsinki\, Finland \n	Prof. Ville Kaila\, Technical University of M
 unich\, Germany\n	Dr. Luca Monticelli\, IBCP (CNRS)\, Lyon\, France\n	Dr. 
 Michael Patzschke\, Helmholtz-Zentrum Dresden-Rossendorf\, Germany\n	Yasha
 svi Ranawat\, Aalto University\, Finland\n	Dr. Markus Koskela\, CSC - IT C
 enter for Science\, Finland\n	Dr. Martti Louhivuori\, CSC - IT Center for 
 Science\, Finland\n	Dr. Atte Sillanpää\, CSC - IT Center for Science\, F
 inland\n	Dr. Nino Runeberg\, CSC- IT Center for Science\, Finland\nSoftwar
 e used in the hands-on exercises\n\nFor MD\nGROMACS 5.1.5 http://manual.gr
 omacs.org/documentation/5.1.5/download.html\ndssp 2.0.4 ftp://ftp.cmbi.ru.
 nl/pub/software/dssp/\ngrace ftp://plasma-gate.weizmann.ac.il/pub/grace/sr
 c/For QC\nORCA 4.0.1.2 https://cec.mpg.de/orcadownload/index.php (Registra
 tion required)\nGabedit 250 https://sourceforge.net/projects/gabedit/files
 /gabedit/Gabedit250/\nTmoleX 4.3 http://www.cosmologic.de/support-download
 /downloads/tmolex-client.html\nNWChem 6.8 https://github.com/nwchemgit/nwc
 hem/releases/tag/v6.8-release\nJmol-14.29.5 https://sourceforge.net/projec
 ts/jmol/files/latest/download?source=files\nCubeDiff r97 http://isilanes.o
 rg/soft/cubediff/?sec=downFor Analyzing electron density\nMolden 5.7 ftp:/
 /ftp.cmbi.ru.nl/pub/molgraph/molden/molden5.7.tar.gz\nmolden2aim 4.2.0 htt
 ps://github.com/zorkzou/Molden2AIM\nNCIPLOT 3.0 http://www.lct.jussieu.fr/
 pagesperso/contrera/nciplot.html\nMultiwfn 3.4.1 http://sobereva.com/multi
 wfn/\nJANPA 1.04 http://janpa.sourceforge.net/\nmep.py https://gist.github
 .com/mretegan/5501553For VMD\nVMD 1.9.4a12 http://www.ks.uiuc.edu/Developm
 ent/Download/download.cgiGraphical access to CSC servers\nNoMachine Enterp
 rise client v 6.0 https://www.nomachine.com/download-enterprisehttps://res
 earch.csc.fi/csc-guide-connecting-the-servers-of-csc#1.3.3\n\nLanguage:  
 EnglishPrice:         Free of charge\n\nhttps://events.prace-ri.eu
 /event/674/
SUMMARY:Spring School in Computational Chemistry 2018 @ CSC
URL;VALUE=URI:https://events.prace-ri.eu/event/674/
END:VEVENT
END:VCALENDAR