Machine-Learning Potentials for Molecular Dynamics Simulations of CO₂ Chemisorption and Diffusion in Mg-MOF-74

Apr 10, 2023
9:45am - 10:00am

Moscone West, Level 3, Room 3010

Bowen Zheng

Grace Gu

Binquan Luan

Binquan Luan¹,Bowen Zheng^1,2,Felipe Lopes Oliveira³,Rodrigo Neumann³,Mathias Steiner³,Hendrik Hamann¹,Grace Gu²

IBM T. J. Watson Research¹,Univerisity of California at Berkeley²,IBM Research-Brazil³

carbon dioxide

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

Mathieu Bauchy

Pratibha Dev

Machine-Learning Potentials for Molecular Dynamics Simulations of CO2 Chemisorption and Diffusion in Mg-MOF-74