Zachary W. Ulissi
机构: Meta Fundamental AI Research, Adjunct Professor CMU ChemE
每年引用次数
引用次数
引用: 5,867
H-指数: 33
I10-指数 : 61
出版物: 94
Effect of multiscale model uncertainty on identification of optimal catalyst properties
Z. Ulissi , V. Prasad , D.G. Vlachos
Journal of Catalysis 281 ( 2) 339 -344
52
2011
Modelling and development of photoelectrochemical reactor for H2 production
G.H. Kelsall , K. Hellgardt , C. Carver , Z. Ulissi
International Journal of Hydrogen Energy 37 ( 3) 2911 -2923
56
2012
High throughput multiscale modeling for design of experiments, catalysts, and reactors: Application to hydrogen production from ammonia
V. Prasad , A.M. Karim , Z. Ulissi , M. Zagrobelny
Chemical Engineering Science 65 ( 1) 240 -246
19
2010
Computational Notebooks in Chemical Engineering Curricula
Fani Boukouvala , Zachary Ulissi , Alexander Dowling , Victor Zavala
Chemical engineering education 54 ( 3) 143 -150
2020
Open Catalyst 2020 (OC20) Dataset and Community Challenges
Lowik Chanussot , Abhishek Das , Siddharth Goyal , Thibaut Lavril
ACS Catalysis 11 ( 10) 6059 -6072
156
2021
Stochastic Pore Blocking and Gating in PDMS–Glass Nanopores from Vapor–Liquid Phase Transitions
Steven Shimizu , Mark Ellison , Kimberly Aziz , Qing Hua Wang
Journal of Physical Chemistry C 117 ( 19) 9641 -9651
16
2013
Compact Polarization Camera with Liquid-Crystal Retarder for Patterning of Biological Textures
Alexander P. Sviridov , Zachary Ulissi , Victor Chernomordik , Moinuddin Hassan
Biomedical optics
1
2008
Copper Silver Thin Films with Metastable Miscibility for Oxygen Reduction Electrocatalysis in Alkaline Electrolytes
Drew Higgins , Melissa Wette , Brenna M. Gibbons , Samira Siahrostami
ACS Applied Energy Materials 1 ( 5) 1990 -1999
31
2018
Quantitative theory of adsorptive separation for the electronic sorting of single-walled carbon nanotubes.
Rishabh M. Jain , Kevin Tvrdy , Rebecca Han , Zachary Ulissi
ACS Nano 8 ( 4) 3367 -3379
47
2014
Accelerated discovery of CO 2 electrocatalysts using active machine learning
Miao Zhong , Kevin Tran , Yimeng Min , Chuanhao Wang
Nature 581 ( 7807) 178 -183
568
2020
A Quantitative and Predictive Model of Electromigration-Induced Breakdown of Metal Nanowires
Darin O. Bellisario , Zachary Ulissi , Michael S. Strano
Journal of Physical Chemistry C 117 ( 23) 12373 -12378
5
2013
Practical Deep-Learning Representation for Fast Heterogeneous Catalyst Screening.
Geun Ho Gu , Juhwan Noh , Sungwon Kim , Seoin Back
Journal of Physical Chemistry Letters 11 ( 9) 3185 -3191
55
2020
Gemnet-oc: developing graph neural networks for large and diverse molecular simulation datasets
Johannes Gasteiger , Muhammed Shuaibi , Anuroop Sriram , Stephan Günnemann
arXiv preprint arXiv:2204.02782
4
2022
How do graph networks generalize to large and diverse molecular systems
Johannes Gasteiger , Muhammed Shuaibi , Anuroop Sriram , Stephan Günnemann
arXiv preprint arXiv 2204
10
2022
Transfer learning using attentions across atomic systems with graph neural networks (TAAG)
Adeesh Kolluru , Nima Shoghi , Muhammed Shuaibi , Siddharth Goyal
The Journal of Chemical Physics 156 ( 18)
6
2022
WhereWulff: A Semiautonomous Workflow for Systematic Catalyst Surface Reactivity under Reaction Conditions
Rohan Yuri Sanspeur , Javier Heras-Domingo , John R Kitchin , Zachary Ulissi
Journal of Chemical Information and Modeling 63 ( 8) 2427 -2437
2023
Rotation invariant graph neural networks using spin convolutions
Muhammed Shuaibi , Adeesh Kolluru , Abhishek Das , Aditya Grover
arXiv preprint arXiv:2106.09575
33
2021
Spherical channels for modeling atomic interactions
Larry Zitnick , Abhishek Das , Adeesh Kolluru , Janice Lan
Advances in Neural Information Processing Systems 35 8054 -8067
5
2022
AmpTorch: A Python package for scalable fingerprint-based neural network training on multi-element systems with integrated uncertainty quantification
Muhammed Shuaibi , Yuge Hu , Xiangyun Lei , Benjamin M Comer
Journal of Open Source Software 8 ( 87) 5035 -5035
2
2023
An introduction to electrocatalyst design using machine learning for renewable energy storage
C Lawrence Zitnick , Lowik Chanussot , Abhishek Das , Siddharth Goyal
arXiv preprint arXiv:2010.09435
74
2020