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