Zachary W Ulissi (Zachary Ulissi)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 16

Top Topics

Molecular Dynamics Simulations

Reduced Graphene Oxide

Machine Learning

Top Venues

Journal of chemical information and modeling

The Journal of chemical physics

The journal of physical chemistry letters

ACS central science

This page only lists publications with an associated author ORCID identifier.

Publications

Anuroop Sriram, Sihoon Choi, Xiaohan Yu, Logan M Brabson, Abhishek Das, Zachary W Ulissi, Matt Uyttendaele, Andrew James Medford, David S Sholl
The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture. ACS central science 10 (5) (2024)
Anuroop Sriram, Sihoon Choi, Xiaohan Yu, Logan M Brabson, Abhishek Das, Zachary W Ulissi, Matt Uyttendaele, Andrew James Medford, David S Sholl
The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture. ACS central science 10 (5) (2024)
Aaron G Garrison, Javier Heras-Domingo, John R Kitchin, Gabriel Dos Passos Gomes, Zachary W Ulissi, Samuel M Blau
Applying Large Graph Neural Networks to Predict Transition Metal Complex Energies Using the tmQM_wB97MV Data Set. Journal of chemical information and modeling (2023)
Janghoon Ock, Tian Tian, John R Kitchin, Zachary W Ulissi
Beyond independent error assumptions in large GNN atomistic models. The Journal of chemical physics 158 (21) (2023)
Rohan Yuri Sanspeur, Javier Heras-Domingo, John R Kitchin, Zachary W Ulissi
WhereWulff : A Semiautonomous Workflow for Systematic Catalyst Surface Reactivity under Reaction Conditions. Journal of chemical information and modeling (2023)
Rajesh Kumar Raju, Saurabh Sivakumar, Xiaoxiao Wang, Zachary W Ulissi
Cluster-MLP: An Active Learning Genetic Algorithm Framework for Accelerated Discovery of Global Minimum Configurations of Pure and Alloyed Nanoclusters. Journal of chemical information and modeling (2023)
Adeesh Kolluru, Nima Shoghi, Muhammed Shuaibi, Siddharth Goyal, Abhishek Das, C Lawrence Zitnick, Zachary W Ulissi
Transfer learning using attentions across atomic systems with graph neural networks (TAAG). The Journal of chemical physics 156 (18) (2022)
Richard Tran, Duo Wang, Ryan S Kingsbury, Aini Palizhati, Kristin Aslaug Persson, Evan Walter Clark Spotte-Smith, Zachary W Ulissi
Screening of bimetallic electrocatalysts for water purification with machine learning. The Journal of chemical physics 157 (7) (2022)
Abhishek Debnath, Sanchari Saha, Duo O Li, Ximo S Chu, Zachary W Ulissi, Alexander A Green, Qing Hua Wang
Elimination of Multidrug-Resistant Bacteria by Transition Metal Dichalcogenides Encapsulated by Synthetic Single-Stranded DNA. ACS applied materials & interfaces 13 (7) (2021)
Kevin Tran, Willie Neiswanger, Kirby Broderick, Eric Xing, Jeff Schneider, Zachary W Ulissi
Computational catalyst discovery: Active classification through myopic multiscale sampling. The Journal of chemical physics 154 (12) (2021)
Seoin Back, Kevin Tran, Zachary W Ulissi
Discovery of Acid-Stable Oxygen Evolution Catalysts: High-Throughput Computational Screening of Equimolar Bimetallic Oxides. ACS applied materials & interfaces 12 (34) (2020)
Junwoong Yoon, Zachary W Ulissi
Capturing Structural Transitions in Surfactant Adsorption Isotherms at Solid/Solution Interfaces. Langmuir : the ACS journal of surfaces and colloids 36 (3) (2020)
Geun Ho Gu, Juhwan Noh, Sungwon Kim, Seoin Back, Zachary W Ulissi, Yousung Jung
Practical Deep-Learning Representation for Fast Heterogeneous Catalyst Screening. The journal of physical chemistry letters 11 (9) (2020)
Seoin Back, Junwoong Yoon, Nianhan Tian, Wen Zhong, Kevin Tran, Zachary W Ulissi
Convolutional Neural Network of Atomic Surface Structures To Predict Binding Energies for High-Throughput Screening of Catalysts. The journal of physical chemistry letters 10 (15) (2019)
Aini Palizhati, Wen Zhong, Kevin Tran, Seoin Back, Zachary W Ulissi
Toward Predicting Intermetallics Surface Properties with High-Throughput DFT and Convolutional Neural Networks. Journal of chemical information and modeling 59 (11) (2019)
Kevin Tran, Aini Palizhati, Seoin Back, Zachary W Ulissi
Dynamic Workflows for Routine Materials Discovery in Surface Science. Journal of chemical information and modeling 58 (12) (2018)