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SUMMARY:Merging Quantum Chemistry and Machine Learning for More Accurate C
 omputational Models - Prof. Geoffrey Hutchison\, University of Pittsburgh
DTSTART:20240429T130000Z
DTEND:20240429T133000Z
UID:TALK216400@talks.cam.ac.uk
CONTACT:Dr Philipp Pracht
DESCRIPTION:Machine learning methods offer the promise of rapid prediction
  of molecular properties. In many cases\, traditional computational chemic
 al methods face a tradeoff between accuracy and speed. Our efforts seek to
  use inexpensive approximate quantum chemical methods as components of ML 
 models to predict complex properties\, including aqueous pKa and organic s
 olar cell performance. The quantum chemical descriptors are calibrated wit
 h experimental data through the ML model.
LOCATION:Zoom link: https://zoom.us/j/92447982065?pwd=RkhaYkM5VTZPZ3pYSHpt
 UXlRSkppQT09
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