Effect of Paired Aluminum Sites on the Diffusion of [Cu(NH₃)₂]⁺ in Cu-CHA Predicted by Machine Learning Accelerated Molecular Dynamics

Dec 1, 2022
9:00am - 9:15am

Hynes, Level 2, Room 210

Reisel Millan^1,2,Rafael Gomez-Bombarelli¹

Massachussets Institute of Technology¹,Polytechnic University of Valencia²

reactivity

N M Anoop Krishnan, Indian Institute of Technology Delhi

Mathieu Bauchy, University of California, Los Angeles

Ekin Dogus Cubuk, Google

Grace Gu, University of California, Berkeley

Bronze
Patterns, Cell Press

Mathieu Bauchy

Grace Gu

Effect of Paired Aluminum Sites on the Diffusion of [Cu(NH3)2]+ in Cu-CHA Predicted by Machine Learning Accelerated Molecular Dynamics