Kalyan R
@kalyan_einstein
ID: 1609512227282849792
https://www.linkedin.com/in/kalyan-r-98a366168/ 01-01-2023 11:30:06
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New work with Lars Schaaf, Chen Lin, Guangrun Wang, and philip: We optimize neural networks to smoothly represent minimum energy paths and predict transition states for chemical reactions. Compared to the traditional approach, our method shows (i) improved resilience to