Zachary W. Ulissi

Accelerated discovery of CO2 electrocatalysts using active machine learning

Miao Zhong, Kevin Tran, Yimeng Min et al. · Nature · 2020 · 1.4K citations

Accelerated Discovery, Chemical Engineering, Engineering +4

Active learning across intermetallics to guide discovery of electrocatalysts for CO2 reduction and H2 evolution

Kevin Tran, Zachary W. Ulissi · Nature Catalysis · 2018 · 846 citations

Materials Science, Oxygen Reduction Reaction, Engineering +9

Open Catalyst 2020 (OC20) Dataset and Community Challenges

Lowik Chanussot, Abhishek Das, Siddharth Goyal et al. · ACS Catalysis · 2021 · 638 citations · Full text

To address surface reaction network complexity using scaling relations machine learning and DFT calculations

Zachary W. Ulissi, Andrew J. Medford, Thomas Bligaard et al. · Nature Communications · 2017 · 600 citations · Full text

Molecular recognition using corona phase complexes made of synthetic polymers adsorbed on carbon nanotubes

Jingqing Zhang, Markita P. Landry, Paul W. Barone et al. · Nature Nanotechnology · 2013 · 374 citations · Full text

Chemical Engineering, Engineering, Carbon-based Material +10