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SUMMARY:Building and Understanding Reactions Using Computation
LOCATION:Chemistry A101
TZID:America/Denver
DTSTART:20240202T160000
UID:2026-05-07-13-41-06@natsci.colostate.edu
DTSTAMP:20260507T134106
Description:About the Seminar:\n\nCreating a new reaction is an exploration
  into the unknown. Fortunately\, this exploration is supported by chemical
  knowledge\, intuition\, and tools that help us anticipate each turn along
  the path. In this talk I’ll give examples of how advanced computational
  methods can support the development of new reactions\, in particular by i
 ntroducing first principles research discovery toolkits and machine learni
 ng methods for reaction condition prediction. The methods will be demonstr
 ated through collaboration with expert experimental research groups. Of sp
 ecific interest will be group-10 catalyzed C-C coupling reactions\, among 
 other interesting reaction types such as carbonyl-olefin metathesis.\n\n&n
 bsp\;\n\nAbout the Speaker: \n\nCreating a new reaction is an exploration
  into the unknown. Fortunately\, this exploration is supported by chemical
  knowledge\, intuition\, and tools that help us anticipate each turn along
  the path. In this talk I’ll give examples of how advanced computational
  methods can support the development of new reactions\, in particular by i
 ntroducing first principles research discovery toolkits and machine learni
 ng methods for reaction condition prediction. The methods will be demonstr
 ated through collaboration with expert experimental research groups. Of sp
 ecific interest will be group-10 catalyzed C-C coupling reactions\, among 
 other interesting reaction types such as carbonyl-olefin metathesis.\n\n&n
 bsp\;\n\nPizza will be provided at the mixer for this seminar  4:00 pm
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