Nanoporous materials can play a key role in solving some of the pressing energy problems faced by humanity, and there has been an explosion of new nanoporous materials in the past decade.  In particular, thousands of metal-organic frameworks (MOFs) have been reported, and the number of potential MOFs is almost unlimited.  This raises the question, how can we quickly discovery top-performing nanoporous materials for a given application from this vast number of potential candidates?  This talk will focus on how molecular simulation, computational materials screening, and machine learning can help us quickly find top-performing MOFs for given applications, using carbon capture and hydrogen storage as applications.

Computational discovery of nanoporous materials for energy applications

Fall 2022 abstracts, posters, and presentations will launch in mid-September.

ACS Fall 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.