BEGIN:VCALENDAR
VERSION:2.0
PRODID:-//132.216.98.100//NONSGML kigkonsult.se iCalcreator 2.20.4//
BEGIN:VEVENT
UID:20250818T233804EDT-40246R9dsl@132.216.98.100
DTSTAMP:20250819T033804Z
DESCRIPTION:Abstract:\n\nThe ability of computer modeling to provide detail
 ed information about microscopic mechanisms of practically important chemi
 cal transformations in complex systems has made it an important tool for r
 ational design of processes\, materials\, and molecules. In this presentat
 ion\, I will describe how new local electronic structure methods developed
  in our group can be exploited to perform faster dynamical simulations on 
 unprecedented length scale and to obtain deeper physical insight into the 
 fundamental nature of chemical bonding. I will also present applications o
 f DFT to reveal mechanisms of poorly understood processes in solid materia
 ls\, solutions and on surfaces\, such as carbon dioxide chemisorption in a
  green MOF\, surface-confined assembly of π-conjugated systems\, and photo
 chemical C—C bond forming reactions.\n
DTSTART:20211026T170000Z
DTEND:20211026T183000Z
LOCATION:Room 112\, Maass Chemistry Building\, CA\, QC\, Montreal\, H3A 0B8
 \, 801 rue Sherbrooke Ouest
SUMMARY:Chemical Society Seminar: Rustam Z. Khaliullin - Exploiting electro
 n locality for fast computation and deep physical insight
URL:/chemistry/channels/event/chemical-society-seminar
 -rustam-z-khaliullin-exploiting-electron-locality-fast-computation-and-dee
 p-332906
END:VEVENT
END:VCALENDAR