/ Physical Chemistry Seminar: Prof. Jason Goodpaster

Physical Chemistry Seminar: Prof. Jason Goodpaster

January 1, 1970
12:00 am - 12:00 am
Date: 
Tuesday, April 12, 2022 – 16:00 to 17:00
Location: 
Atlanta, GA
Summary Sentence: 
Advancements in Machine Learning and Quantum Embedding for Large Scale Simulations
Contact: 

Prof. Joshua Kretchmer, School of Chemistry and Biochemistry

Abstract: Large, periodic, and condensed phase systems impose a challenge for theoretical studies due to the compromise between accuracy and computational cost in their calculations.  We present two methods that show exciting promise for treating this compromise: machine learning and quantum embedding. We exploit machine learning methods to solve this accuracy and computational cost trade-off by leveraging large data sets to train on highly accurate calculations using small molecules and then apply them to larger systems.

Phone: 
404-894-3574
Url: 
https://bluejeans.com/764447847
Email: 
jkretchmer@gatech.edu
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