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DTSTAMP:20260901T231349Z
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DTSTART:20210506T070000Z
DTEND:20210507T103000Z
DESCRIPTION:Quantum molecular modeling of complex molecular systems is an i
 ndispensable and integrated component in advanced material design\, as suc
 h simulations provide a microscopic insight into the underlying physical p
 rocesses. ENCCS and PDC will offer training on using the VeloxChem progra
 m package This event is for researchers and students already familiar wit
 h quantum chemistry that want to learn how to:\n\n\n	Perform quantum chemi
 cal simulations of ground- and excited-state properties on large systems a
 nd with efficient use of HPC resources.\n	Use an interactive\, computation
 ally-oriented approach to teaching quantum chemistry.\n\n\nLearning outcom
 es\n\nIn this workshop\, you will learn how to use the VeloxChem program 
 package to:\n\n\n	Perform quantum chemical simulations of ground- and exc
 ited-state properties of large systems.\n	Leverage the aggregate resources
  of modern HPC clusters to efficiently tackle large molecular systems.\n	U
 se the Python application programming interface (API) to prototype new met
 hods.\n	Design interactive computational teaching materials in Python.\n\n
 \nPrerequisites\n\nWe assume that participants have:\n\n\n	A sufficiently 
 thorough prior knowledge of self-consistent field theory\, at the level pr
 esented in the Modern Quantum Chemistry textbook by Szabo and Ostlund.\n
 	Worked previously with other quantum chemical software packages.\n	Some f
 amiliarity with the Python programming language.\n\n\n \n\nContact &amp\;
  Agenda\n\nTo contact us and to see the updated schedule visit the event'
 s webpage at https://enccs.se/events/2021/05/veloxchem-workshop/\nhttps:/
 /events.prace-ri.eu/event/1195/
SUMMARY:[ONLINE] VeloxChem: Quantum Chemistry from Laptop to HPC @ENCCS/PDC
URL;VALUE=URI:https://events.prace-ri.eu/event/1195/
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