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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