Control of Model Catalytic Conversion Reaction over Pt Nanoparticle Supported Mesoporous BEA Zeolite Catalysts
Catalysis Today
Kyungsu Na, Junwoong Yoon, Gabor Somorjai
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Capturing Structural Transitions in Surfactant Adsorption Isotherms at Solid/Solution Interfaces
Langmuir
Junwoong Yoon, Zachary Ulissi
Convolutional Neural Network of Atomic Surface Structures To Predict Binding Energies for High-Throughput Screening of Catalysts
The Journal of Physical Chemistry Letters
Seoin Back*, Junwoong Yoon*, Nianhan Tian, Wen Zhong, Kevin tran, Zachary Ulissi
Methods for comparing uncertainty quantifications for material property predictions
Machine Learning: Science and Technology
Kevin Tran, Willie Neiswanger, Junwoong Yoon, Qingyang Zhang, Eric Xing, Zachary Ulissi
An Introduction to Electrocatalyst Design using Machine Learning for Renewable Energy Storage
C. Lawrence Zitnick, Lowik Chanussot, Abhishek Das, Siddharth Goyal, Javier Heras-Domingo, Caleb Ho, Weihua Hu, Thibaut Lavril, Aini Palizhati, Morgane Riviere, Muhammed Shuaibi, Anuroop Sriram, Kevin Tran, Brandon Wood, Junwoong Yoon, Devi Parikh, Zachary Ulissi
opencatalystproject.org
The Open Catalyst 2020 (OC20) Dataset and Community Challenges
Lowik Chanussot*, Abhishek Das*, Siddharth Goyal*, Thibaut Lavril*, Muhammed Shuaibi*, Morgane Riviere, Kevin Tran, Javier Heras-Domingo, Caleb Ho, Weihua Hu, Aini Palizhati, Anuroop Sriram, Brandon Wood, Junwoong Yoon, Devi Parikh, C. Lawrence Zitnick, Zachary Ulissi
opencatalystproject.org
Differentiable Optimization for the Prediction of Ground State Structures (DOGSS)
Phys. Rev. Lett.
Junwoong Yoon, Zachary Ulissi
Deep reinforcement learning for predicting kinetic pathways to surface reconstruction in a ternary alloy
Machine Learning: Science and Technology
Junwoong Yoon*, Zhonglin Cao*, Rajesh K Raju*, Yuyang Wang, Robert Burnley, Andrew J. Gellman, Amir Barati Farimani, Zachary W Ulissi