Machine Learning in Chemistry

OCT 29, 2021 | 11:00 AM

Details

WHERE:

The Graduate Center
365 Fifth Avenue

WHEN:

October 29, 2021: 11:00 AM

ADMISSION:

Free

SPONSOR:

Initiative for the Theoretical Sciences

Description

This is an online event aimed at the scientific community.
Please register here to participate via Zoom. 

11:00 - 11:30 AM
A Star Wars character beats Quantum Chemistry!
A neural network accelerating molecular calculations

 Adrian Roitberg, University of Florida
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, UC Merced 
about

12:00 - 12:30 PM
Accelerated molecular design and synthesis for drug discovery
Connor Coley, MIT 
about 

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

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

Organizers: Seogjoo Jang, Queens College, CUNY; Johannes Hachmann, University at Buffalo, SUNY

**This workshop is accompanied by a tutorial for students on Wed 27 Oct @ 1 PM, which will be led by a CUNY doctoral student in Chemistry with support from the Gordon and Betty Moore Foundation.

For Zoom registration and more information, please visit our Fall 2021 Tutorials page.