Zachary W. Ulissi

Accelerated discovery of CO2 electrocatalysts using active machine learning

Miao Zhong, Kevin Tran, Yimeng Min et al. · Nature · 2020 · 1.5K citations

Natural Sciences, Chemical Engineering, Computer Science +16

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

Kevin Tran, Zachary W. Ulissi · Nature Catalysis · 2018 · 897 citations

Natural Sciences, Materials Engineering, Materials Science +16

Open Catalyst 2020 (OC20) Dataset and Community Challenges

Lowik Chanussot, Abhishek Das, Siddharth Goyal et al. · ACS Catalysis · 2021 · 713 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +17

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 · 627 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +17

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 · 384 citations · Full text

Natural Sciences, Chemistry, Materials Science +14