Improved Prediction of Adsorption Energies and Vibrational Frequencies of Molecules Adsorbed on Monometal Catalyst Surfaces by Machine Learning using Structural Descriptors

Dec 7, 2023
11:00am - 11:05am

DS06-virtual

Keigo Nakamura¹,Masakuni Okamoto¹

Hitachi Ltd.¹

Mathieu Bauchy, University of California, Los Angeles

Ekin Dogus Cubuk, Google

Grace Gu, University of California, Berkeley

N M Anoop Krishnan, Indian Institute of Technology Delhi

Bronze
Patterns and Matter | Cell Press

Grace Gu

N M Anoop Krishnan