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DTSTAMP:20260706T072757Z
UID:abd9913f-71f5-4582-86dd-2c56e4dba27f
DTSTART:20180613T080000Z
DTEND:20180615T160000Z
DESCRIPTION:This course aims to provide a general overview of HPC and relev
 ant applications for researchers involved in molecular and atomistic simul
 ations\, encompassing areas such as computational and physical chemistry. 
 It is targeted mainly at researchers who may have little to no prior exper
 ience in using parallel applications on HPC systems. The course is organis
 ed in collaboration with E-CAM\, a European Centre of Excellence that supp
 ort HPC simulations through software development\, training and research.\
 n\nThe course initially covers some of the key HPC concepts (e.g. architec
 ture\, batch systems)\, including scripting for pre- and post- processing 
 simulation data. It will then delve into quantum mechanics and molecular d
 ynamics simulations\, introducing their respective key concepts and popula
 r applications such as Gaussian\, Gromacs and LAMMPS. There will be a heav
 y emphasis on practical sessions where participants will gain knowledge ab
 out best practices on using the simulation packages in parallel and ways t
 o measure and achieve optimum scalability.\n\nEach participant is required
  to bring his/her own laptop to the course for the practical sessions. Acc
 ounts on a HPC system will be allocated during the course.\n\nThe course w
 ill be held in Room B003 (Weds 13th)\, B002 (Thurs 14th) and B004 (Fri 15t
 h) in the Computer Science and Informatics Centre (Building #17 on UCD c
 ampus map).\n\nhttps://events.prace-ri.eu/event/738/
SUMMARY:HPC in Molecular and Atomistic Simulations @ICHEC
URL;VALUE=URI:https://events.prace-ri.eu/event/738/
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