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SUMMARY:Computational Chemistry Event - Dr Kadi Liis Sar\, Dr Emma King-Sm
 ith\, Dr Sam Niblett and Professor Angelos Michaelides
DTSTART:20231201T140000Z
DTEND:20231201T163000Z
UID:TALK208954@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:14:00-15:00 – three 20 minute presentations on a ‘computat
 ional’ theme from senior post-docs across the RIGs:\n\nDr Kadi Liis Sar 
 (Physical RIG)\n\nDr Emma King-Smith (Synthesis RIG)\n\nDr Sam Niblett (Ma
 terials RIG)\n\n15:00-15:30 – coffee break in the Cyber Café (free!)\n\
 n15:30-16:30 – Inaugural Lecture by Prof Angelos Michaelides FRS (1968 P
 rofessor of Theoretical Chemistry) ‘All of chemistry on computers. Close
  the laboratories\, the future is here’\n\nJohn Lennard-Jones of the Cam
 bridge Chemistry Department wrote down his eponymous equation for intermol
 ecular interactions almost a century ago. Since then the field of theoreti
 cal chemistry that he helped to pioneer has advanced beyond recognition. I
 t now plays a central role — arguably the most central and unifying role
  — in all of Chemistry.\n \nThis talk will discuss some of the developme
 nts that have taken us to this exciting new frontier. It will include an o
 verview of the research activities of the ICE group (https://www.ch.cam.ac
 .uk/group/michaelides/) and the exciting journey we are on to understand c
 hemistry with the help of computers. The prediction and discovery of new p
 hases of ice\, the behaviour of water at interfaces\, and the role of theo
 ry in heterogenous catalysis will be discussed (Nature 609 (7927)\, 512 (2
 022)\; Science 379\, 474 (2022)\; Science 372\, 1444 (2021)\; Nature Chemi
 stry (in press)).\n\n16:30-18:00 – drinks reception
LOCATION:Dept of Chemistry\, BMS Lecture Theatre 
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