Kaihang Shi
@kaihangs.bsky.social
Assistant Professor of Chemical Engineering at @UBuffalo. Research group website: https://shiresearchgroup.github.io/
Reposted by Kaihang Shi
In this new paper in ACS Catalysis, XijunWang, @kaihangs.bsky.social, and Anyang Peng tackle some of the challenges in modeling supported amorphous metal oxide nanoclusters for methane activation. pubs.acs.org/doi/abs/10.1...
Computational Chemistry and Machine Learning-Assisted Screening of Supported Amorphous Metal Oxide Nanoclusters for Methane Activation
Activating the C–H bond in methane represents a cornerstone challenge in catalytic research. While several supported metal oxide nanoclusters (MeO-NCs) have shown promise for this reaction, their opti...
pubs.acs.org
December 14, 2024 at 7:41 PM
In this new paper in ACS Catalysis, XijunWang, @kaihangs.bsky.social, and Anyang Peng tackle some of the challenges in modeling supported amorphous metal oxide nanoclusters for methane activation. pubs.acs.org/doi/abs/10.1...
Reposted by Kaihang Shi
As my first post on @bsky.app, I'm happy to announce the publication of a paper describing the new (very fast!) GPU version of our RASPA simulation code, gRASPA. Congratulations to Zhao Li and the team!
November 20, 2024 at 9:55 PM
As my first post on @bsky.app, I'm happy to announce the publication of a paper describing the new (very fast!) GPU version of our RASPA simulation code, gRASPA. Congratulations to Zhao Li and the team!