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SUMMARY:Molecular Modeling Training Series - Quantum ESPRESSO and CP2K
DTSTART:20261119T113000Z
DTEND:20261119T163000Z
DTSTAMP:20261030T102400Z
UID:indico-event-547@events.hpc-portal.eu
DESCRIPTION:Contents\nThe aim of this course is to provide participants wi
 th an introduction to density functional theory workflows and selected sim
 ulation approaches using Quantum ESPRESSO and CP2K. The course consists of
  lectures\, demonstrations\, and hands-on exercises. \nThe topics covered
  are:\n\nIntroduction to density functional theory\nIntroduction to Quantu
 m ESPRESSO\nIntroduction to CP2K\nPractical simulation workflows using HPC
  resources\n\nSchedule (all times in CET)\n\n12:30 - 13:00: Introduction t
 o Density Functional Theory\n13:00 - 15:15: Quantum ESPRESSO\n15:15 - 15:3
 0: Break\n15:30 - 17:30: CP2K\n\nPrerequisites\nBasic familiarity with Lin
 ux\, command line usage\, and molecular modeling concepts is recommended.\
 nHands-On\nDuring the course\, participants will be introduced to selected
  simulation workflows using Quantum ESPRESSO and CP2K. Hands-on exercises 
 will be carried out using the virtual HPC cluster RedLion.\n\nhttps://even
 ts.hpc-portal.eu/event/547/
URL:https://events.hpc-portal.eu/event/547/
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