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Zachary W. Ulissi
Zachary W. Ulissi
Meta Fundamental AI Research, Adjunct Professor CMU ChemE
Verified email at meta.com - Homepage
Title
Cited by
Cited by
Year
Accelerated discovery of CO2 electrocatalysts using active machine learning
M Zhong, K Tran, Y Min, C Wang, Z Wang, CT Dinh, P De Luna, Z Yu, ...
Nature 581 (7807), 178-183, 2020
9882020
Active learning across intermetallics to guide discovery of electrocatalysts for CO2 reduction and H2 evolution
K Tran, ZW Ulissi
Nature Catalysis 1 (9), 696-703, 2018
6582018
To address surface reaction network complexity using scaling relations machine learning and DFT calculations
ZW Ulissi, AJ Medford, T Bligaard, JK NÝrskov
Nature communications 8 (1), 14621, 2017
5212017
Open catalyst 2020 (OC20) dataset and community challenges
L Chanussot, A Das, S Goyal, T Lavril, M Shuaibi, M Riviere, K Tran, ...
Acs Catalysis 11 (10), 6059-6072, 2021
4382021
Machine-Learning Methods Enable Exhaustive Searches for Active Bimetallic Facets and Reveal Active Site Motifs for CO2 Reduction
ZW Ulissi, MT Tang, J Xiao, X Liu, DA Torelli, M Karamad, K Cummins, ...
Acs Catalysis 7 (10), 6600-6608, 2017
3712017
Molecular recognition using corona phase complexes made of synthetic polymers adsorbed on carbon nanotubes
J Zhang, MP Landry, PW Barone, JH Kim, S Lin, ZW Ulissi, D Lin, B Mu, ...
Nature nanotechnology 8 (12), 959-968, 2013
3332013
Convolutional neural network of atomic surface structures to predict binding energies for high-throughput screening of catalysts
S Back, J Yoon, N Tian, W Zhong, K Tran, ZW Ulissi
The journal of physical chemistry letters 10 (15), 4401-4408, 2019
2012019
Methods for comparing uncertainty quantifications for material property predictions
K Tran, W Neiswanger, J Yoon, Q Zhang, E Xing, ZW Ulissi
Machine Learning: Science and Technology 1 (2), 025006, 2020
1762020
Diameter-dependent ion transport through the interior of isolated single-walled carbon nanotubes
W Choi, ZW Ulissi, SFE Shimizu, DO Bellisario, MD Ellison, MS Strano
Nature communications 4 (1), 2397, 2013
1682013
Toward a design of active oxygen evolution catalysts: insights from automated density functional theory calculations and machine learning
S Back, K Tran, ZW Ulissi
Acs Catalysis 9 (9), 7651-7659, 2019
1462019
Spatiotemporal intracellular nitric oxide signaling captured using internalized, near-infrared fluorescent carbon nanotube nanosensors
ZW Ulissi, F Sen, X Gong, S Sen, N Iverson, AA Boghossian, LC Godoy, ...
Nano letters 14 (8), 4887-4894, 2014
1052014
The Open Catalyst 2022 (OC22) dataset and challenges for oxide electrocatalysts
R Tran, J Lan, M Shuaibi, BM Wood, S Goyal, A Das, J Heras-Domingo, ...
ACS Catalysis 13 (5), 3066-3084, 2023
992023
Automated discovery and construction of surface phase diagrams using machine learning
ZW Ulissi, AR Singh, C Tsai, JK NÝrskov
The journal of physical chemistry letters 7 (19), 3931-3935, 2016
962016
Modelling and development of photoelectrochemical reactor for H2 production
C Carver, Z Ulissi, CK Ong, S Dennison, GH Kelsall, K Hellgardt
International Journal of Hydrogen Energy 37 (3), 2911-2923, 2012
932012
Practical deep-learning representation for fast heterogeneous catalyst screening
GH Gu, J Noh, S Kim, S Back, Z Ulissi, Y Jung
The journal of physical chemistry letters 11 (9), 3185-3191, 2020
832020
An introduction to electrocatalyst design using machine learning for renewable energy storage
CL Zitnick, L Chanussot, A Das, S Goyal, J Heras-Domingo, C Ho, W Hu, ...
arXiv preprint arXiv:2010.09435, 2020
802020
Rotation invariant graph neural networks using spin convolutions
M Shuaibi, A Kolluru, A Das, A Grover, A Sriram, Z Ulissi, CL Zitnick
arXiv preprint arXiv:2106.09575, 2021
742021
Observation of oscillatory surface reactions of riboflavin, trolox, and singlet oxygen using single carbon nanotube fluorescence spectroscopy
F Sen, AA Boghossian, S Sen, ZW Ulissi, J Zhang, MS Strano
Acs Nano 6 (12), 10632-10645, 2012
632012
Effect of multiscale model uncertainty on identification of optimal catalyst properties
Z Ulissi, V Prasad, DG Vlachos
Journal of catalysis 281 (2), 339-344, 2011
612011
Discovery of acid-stable oxygen evolution catalysts: high-throughput computational screening of equimolar bimetallic oxides
S Back, K Tran, ZW Ulissi
ACS applied materials & interfaces 12 (34), 38256-38265, 2020
602020
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Articles 1–20