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Machine Learning in Chemistry

Machine Learning in Chemistry symposium, 29 Oct 2021 https://itsatcuny.org/calendar/machin... Moderated by Seogjoo Jang (CUNY) and Johannes Hachmann (University at Buffalo, SUNY) 1:30 A Star Wars character beats Quantum Chemistry! A neural network accelerating molecular calculations Adrian Roitberg, University of Florida 33:40 Machine learning energy gaps of molecules in the condensed phase for linear and nonlinear optical spectroscopy Christine Isborn, University of California Merced 1:02:41 Accelerated molecular design and synthesis for drug discovery Connor Coley, Massachusetts Institute of Technology 1:36:09 More than mimicry? The challenges of teaching chemistry to deep models Brett Savoie, Purdue University