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Physical Review Letters
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November 6, 2020
Differentiable Optimization for the Prediction of Ground State Structures (DOGSS)
Junwoong Yoon, Zachary W Ulissi
Langmuir : the ACS Journal of Surfaces and Colloids
|
January 1, 2020
Capturing Structural Transitions in Surfactant Adsorption Isotherms at Solid/Solution Interfaces
Junwoong Yoon, Zachary W Ulissi
ACS Applied Materials & Interfaces
|
August 18, 2020
Discovery of Acid-Stable Oxygen Evolution Catalysts: High-Throughput Computational Screening of Equimolar Bimetallic Oxides
Seoin Back, Kevin Tran, Zachary W Ulissi
Journal of Chemical Information and Modeling
|
November 21, 2018
Dynamic Workflows for Routine Materials Discovery in Surface Science
Kevin Tran, Aini Palizhati, Seoin Back, et al.
ACS Nano
|
July 19, 2016
Persistently Auxetic Materials: Engineering the Poisson Ratio of 2D Self-Avoiding Membranes under Conditions of Non-Zero Anisotropic Strain
Zachary W Ulissi, Ananth Govind Rajan, Michael S Strano
Physical Chemistry Chemical Physics : PCCP
|
August 29, 2020
<i>In silico</i> discovery of active, stable, CO-tolerant and cost-effective electrocatalysts for hydrogen evolution and oxidation
Seoin Back, Jonggeol Na, Kevin Tran, et al.
Journal of Chemical Information and Modeling
|
October 12, 2023
Cluster-MLP: An Active Learning Genetic Algorithm Framework for Accelerated Discovery of Global Minimum Configurations of Pure and Alloyed Nanoclusters
Rajesh K Raju, Saurabh Sivakumar, Xiaoxiao Wang, et al.
Nature Communications
|
March 7, 2017
To address surface reaction network complexity using scaling relations machine learning and DFT calculations
Zachary W Ulissi, Andrew J Medford, Thomas Bligaard, et al.
Journal of Chemical Information and Modeling
|
October 24, 2019
Toward Predicting Intermetallics Surface Properties with High-Throughput DFT and Convolutional Neural Networks
Aini Palizhati, Wen Zhong, Kevin Tran, et al.
The Journal of Physical Chemistry Letters
|
August 26, 2016
Automated Discovery and Construction of Surface Phase Diagrams Using Machine Learning
Zachary W Ulissi, Aayush R Singh, Charlie Tsai, et al.
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of 3
Search research articles
Search
Showing results (1-10 of 26) with videos related to
Sort By:
Page
of 3
Physical Review Letters
|
November 6, 2020
Differentiable Optimization for the Prediction of Ground State Structures (DOGSS)
Junwoong Yoon, Zachary W Ulissi
Langmuir : the ACS Journal of Surfaces and Colloids
|
January 1, 2020
Capturing Structural Transitions in Surfactant Adsorption Isotherms at Solid/Solution Interfaces
Junwoong Yoon, Zachary W Ulissi
ACS Applied Materials & Interfaces
|
August 18, 2020
Discovery of Acid-Stable Oxygen Evolution Catalysts: High-Throughput Computational Screening of Equimolar Bimetallic Oxides
Seoin Back, Kevin Tran, Zachary W Ulissi
Journal of Chemical Information and Modeling
|
November 21, 2018
Dynamic Workflows for Routine Materials Discovery in Surface Science
Kevin Tran, Aini Palizhati, Seoin Back, et al.
ACS Nano
|
July 19, 2016
Persistently Auxetic Materials: Engineering the Poisson Ratio of 2D Self-Avoiding Membranes under Conditions of Non-Zero Anisotropic Strain
Zachary W Ulissi, Ananth Govind Rajan, Michael S Strano
Physical Chemistry Chemical Physics : PCCP
|
August 29, 2020
<i>In silico</i> discovery of active, stable, CO-tolerant and cost-effective electrocatalysts for hydrogen evolution and oxidation
Seoin Back, Jonggeol Na, Kevin Tran, et al.
Journal of Chemical Information and Modeling
|
October 12, 2023
Cluster-MLP: An Active Learning Genetic Algorithm Framework for Accelerated Discovery of Global Minimum Configurations of Pure and Alloyed Nanoclusters
Rajesh K Raju, Saurabh Sivakumar, Xiaoxiao Wang, et al.
Nature Communications
|
March 7, 2017
To address surface reaction network complexity using scaling relations machine learning and DFT calculations
Zachary W Ulissi, Andrew J Medford, Thomas Bligaard, et al.
Journal of Chemical Information and Modeling
|
October 24, 2019
Toward Predicting Intermetallics Surface Properties with High-Throughput DFT and Convolutional Neural Networks
Aini Palizhati, Wen Zhong, Kevin Tran, et al.
The Journal of Physical Chemistry Letters
|
August 26, 2016
Automated Discovery and Construction of Surface Phase Diagrams Using Machine Learning
Zachary W Ulissi, Aayush R Singh, Charlie Tsai, et al.
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