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SUMMARY:Materials Modelling Workshop using Density Functional Theory (DFT)
DTSTART;VALUE=DATE-TIME:20251130T113000Z
DTEND;VALUE=DATE-TIME:20251130T130000Z
DTSTAMP;VALUE=DATE-TIME:20260520T004452Z
UID:indico-contribution-3016@events.chpc.ac.za
DESCRIPTION:Speakers: Kingsley Obodo (University of South Africa)\nThe Mat
 erials Modelling Workshop using Density Functional Theory (DFT) provides p
 ostgraduate students\, early-career researchers\, and interdisciplinary sc
 ientists with a solid foundation in computational materials science. DFT i
 s a powerful quantum mechanical method for predicting the structural\, ele
 ctronic\, optical\, and magnetic properties of materials\, enabling the ra
 tional design of novel systems for energy\, catalysis\, and optoelectronic
  applications. Through a combination of lectures and hands-on sessions\, p
 articipants will gain practical experience with leading DFT software tools
 \, learning how to perform structure optimization\, electronic structure c
 alculations\, and property analysis. The workshop will highlight applicati
 ons in sustainable energy materials\, topological systems\, and low-dimens
 ional materials. Participants will also be introduced to emerging approach
 es that combine DFT with machine learning for accelerated materials discov
 ery and inverse design. By the end of the workshop\, attendees will posses
 s both theoretical insight and computational skills to apply DFT (CASTEP i
 n materials studio) techniques effectively in their own research and to co
 ntribute to innovation in materials design and development.\n\nhttps://eve
 nts.chpc.ac.za/event/155/contributions/3016/
LOCATION:Century City Conference Centre 1/1-10 - Room 10
URL:https://events.chpc.ac.za/event/155/contributions/3016/
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