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DTSTAMP:20260619T161406Z
UID:e4df976b-0727-4587-8b77-c84f8a8f3cd3
DTSTART:20240417T090000Z
DTEND:20240419T160000Z
DESCRIPTION:The spring school is now fully booked\, but you can still regis
 ter for the waitlist!Description The Spring School provides a comprehensi
 ve\, tutorial-style\, hands-on\, introductory and intermediate-level treat
 ment of the essential methods for molecular modelling and computational ch
 emistry using modern supercomputers. The School program is being finalized
 \, but the main content will be similar to last years and consists of:Clas
 sical molecular dynamics\, intro + hands on (1 day)Electronic structure th
 eory\, intro + hands on (1 day)Machine learning in chemistry\, intro + han
 ds onEnhanced sampling methods\, intro + hands onThe school is a must for 
 graduate students in the field\, providing an overview of "what can be cal
 culated and how it should be done"\, without forgetting the important aspe
 ct of network building. The intense schedule is also suitable for industry
  representatives to get a hands-on introduction to molecular modelling. To
  get an idea of the depth in which the topics are covered\, take a look at
  the materials from the 2023 School or a blog entry of the 2019 School.Lea
 rning outcomeThe learning outcome is to gain an overview of the two main b
 ranches of computational chemistry — classical molecular dynamics and el
 ectronic structure calculations — in connection with related HPC softwar
 e packages and other useful skills in the trade. The workshop serves also 
 as an intensive crash course (the first two days) in computational modelli
 ng and is expected to be useful for students and researchers in physics\, 
 materials science and biosciences as well. The following "Special topics" 
 then build on this foundation.Another integral aim of the school is to ser
 ve as a venue for networking and community building. We have reserved ampl
 e time for discussions and interaction\, and we highly encourage you to br
 ing a poster to help communicate your work and interests!PrerequisitesWork
 ing knowledge and some hands-on experience in some branch of computational
  chemistry will be useful. Basic linux skills for hands-on exercises and e
 lementary Python for Machine Learning hands-on. Please consult and prepar
 e with these materials to be able to maximally benefit from the school. Du
 ring the school\, we have only limited support available for elementary co
 mmand-line / Python issues.ProgrammeTentative agenda Wednesday 17 AprThur
 sday 18 AprFriday 19 Apr9-9:15Welcome &amp\; introWelcome &amp\; introWelc
 ome &amp\; intro9:15-10Introduction to classical MDIntroduction to electro
 nic structure theoryEnhanced sampling methods (lecture)10-10:15breakbreakb
 reak10:15-11Intro... continuedIntro... continuedEnhanced sampling methods 
 (lecture / hands-on)11-11:15breakbreakbreak11:15-12Intro... continuedIntro
 ... continuedEnhanced sampling methods (hands-on)12-13lunchlunchlunch13-13
 :45MD hands-on: 3 parallel sessions ...QC hands-on: 3 parallel sessions ..
 .Machine learning in chemistry (MD lecture)13:45-14:30...basic\, inter\, a
 dvanced...basic\, inter\, advancedMachine learning in chemistry (QC lectur
 e)14:30-14:45breakbreakbreak14:45-15:30MD hands-on: continuedQC hands-on: 
 continuedML in chemistry hands-on: 2 parallel sessions ...15:30-16:15MD ha
 nds-on: continuedQC hands-on: continued... clustering techniques for MD an
 d AI for spectroscopy (QC)16:30-19:00Poster session + snacksSauna talk...C
 losing (15 min)18:30-22:00 ...and sauna + dinner  Software used in the 
 SchoolGROMACS\, Turbomole\, CP2K\, Python\, etc.Participation feeThe sprin
 g school is now fully booked\, but you can still register for the waitlist
 !The school has a participation fee of 120 EUR (+ VAT). It covers the lect
 ures\, coffees\, lunches\, poster session snacks\, and the sauna + dinner.
  A small fee is necessary to cover a part of the costs and to reduce no-sh
 ow as only limited seats are available.Please briefly describe your backgr
 ound\, skills\, and expectations upon course application. The registrati
 on deadline is at 17th of March 2024\, but as the course is likely to be f
 ully booked\, we recommend you to reserve your seat early. A waiting list 
 will be used in case of cancellations.While CSC cannot guarantee credits\,
  as the decision is finally up to your own institute\, we'll supply a cert
 ificate which recommends granting 1 ECTS credits for each participant.Lect
 urersProf. Antti Karttunen\, Aalto University\, FinlandProf. Milica Todoro
 vić\, University of Turku\, FinlandDr. Hector Martinez-Seara\, Czech Acad
 emy of Sciences\, Czech RepublicDr. Matti Javanainen\, University of Helsi
 nki\, FinlandDr. Shreyas Kaptan\, University of Helsinki\, FinlandDr. Atte
  Sillanpää\, CSC-IT Center for Science\, FinlandDr. Nino Runeberg\, CSC-
 IT Center for Science\, FinlandDr. Rasmus Kronberg\, CSC-IT Center for Sci
 ence\, FinlandDr. Xavier Prasanna\, CSC-IT Center for Science\, FinlandFun
 dingThe course is organized with support from and as a collaboration betwe
 en CSC\, EuroCC2 and BioExcel3.
LOCATION:CSC Training Facilities - Keilaranta 14
SUMMARY:CSC Spring School on Computational Chemistry 2024
URL;VALUE=URI:https://ssl.eventilla.com/sscc-2024
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