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SUMMARY:Quantum Monte Carlo without breaking the bank? - Robert Thomas
DTSTART:20151023T110000Z
DTEND:20151023T120000Z
UID:TALK60899@talks.cam.ac.uk
CONTACT:Alex Thom
DESCRIPTION:Long regarded as an impossible task\, the theoretical method w
 hich our research has developed has allowed\, for the first time\, the exa
 ct application of the electronic Schrödinger equation to chemical systems
  of representative size and genuine interest from first principles. The pr
 edictive power which this entails has set new benchmarks for accuracy\, an
 d its flexibility allows for the straightforward calculation of a host of 
 important physical properties from first principles. Our most recent work 
 has seen the formulation of a new\, stochastic multi-configurational self-
 consistent field theory\, which widens the method's scope of applicability
  vastly. In our initial\, exemplar study\, we have performed calculations 
 on a series of previously intractable polyaromatic hydrocarbons\, and it i
 s now hoped that the research will allow for studies as diverse as the pro
 bing of photochemical processes inside plant cells to the development of h
 igh-temperature superconductors. 
LOCATION:Pfizer Lecture Theatre\,  Department of Chemistry
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