Initiative for the Theoretical Sciences
Promoting collaboration across the theoretical sciences
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Machine Learning in Chemistry

Friday, Oct 29
11:00 AM -
1:00 PM EDT


watch the lectures


11:00 - 11:30 AM
A Star Wars character beats Quantum Chemistry!
A neural network accelerating molecular calculations
 Adrian Roitberg, University of Florida
abstract | about

11:30 AM - 12:00 PM
Machine learning energy gaps of molecules in the condensed phase
for linear and nonlinear optical spectroscopy
Christine Isborn, University of California Merced
abstract | about

12:00 - 12:30 PM
Accelerated molecular design and synthesis for drug discovery
Connor Coley, Massachusetts Institute of Technology
abstract | about 

12:30 - 1:00 PM
More than mimicry? The challenges of teaching chemistry to deep models
Brett Savoie, Purdue University
abstract | about

Informal discussion to follow
1:00 - 1:30 PM


Organizers:
Seogjoo Jang, Queens College and The Graduate Center, CUNY
Johannes Hachmann, University at Buffalo, SUNY


are you a student looking for a primer to the talks?

Graduate students and advanced undergraduates interested in attending the symposium
are invited to the online tutorial on Wed 27 Oct @ 1 PM EDT.

Please register here for the Zoom link.

Interested in more tutorials?
Check out the full schedule of tutorials offered at ITS this semester here.