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SUMMARY:The shape of things to come - Professor Nicola Marzari\, École po
 lytechnique fédérale de Lausanne (EPFL) and Paul Scherrer Institut (PSI)
DTSTART:20230420T150000Z
DTEND:20230420T160000Z
UID:TALK199318@talks.cam.ac.uk
CONTACT:Chloe Barker
DESCRIPTION:Computational science has benefited for many decades from one 
 the \ngreatest accelerators of research\, with results and impact that run
  deep \nin scientific discovery and in technological innovation. The key \
 nchallenges that it has faced are those of predictive accuracy\, with \nsi
 mulations able to capture the quantum nature of electrons and ions\; of \n
 realistic complexity\, aiming to capture ever more realistic systems\; \na
 nd\, more recently\, of leveraging the wealth of algorithms and tools \nco
 ming from computer science.\n\nI'll highlight some of the key efforts we a
 re targeting: addressing the \nelectronic structure of compounds with stro
 ngly localized electrons\, \ndeveloping mesoscopic equations and formulati
 ons that bring atomistic \nand quantum precision to the macroscopic scale\
 , and delivering automated \ncapabilities that can be externalized and the
 n orchestrated by human and less human players.
LOCATION:Dept of Chemistry\, Wolfson Lecture Theatre 
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