* Co-First Authors
Published in arXiv:2211.16486, 2022
Recommended citation: Janice Lan*, Aini Palizhati*, Muhammed Shuaibi*, Brandon M. Wood*, Brook Wander, Abhishek Das, Matt Uyttendaele, C. Lawrence Zitnick, Zachary W. Ulissi: "AdsorbML: Accelerating Adsorption Energy Calculations with Machine Learning", 2022; arXiv:2211.16486
Published in The Journal of Chemical Physics, 2022
Recommended citation: Richard Tran, Duo Wang, Ryan Kingsbury, Aini Palizhati, Kristin Aslaug Persson, Anubhav Jain, Zachary W Ulissi, "Screening of bimetallic electrocatalysts for water purification with machine learning". Journal of Chemical Physics, 2022.
Published in Scientific Report, 2022
Recommended citation: Aini Palizhati, Steven B. Torrisi, Muratahan Aykol, Santosh K. Suram, Jeans S. Hummelshøj, Joseph H Montoya. Agents for sequential learning using multiple-fidelity data. Scientific Reports, 2022, 10.1038/s41598-022-08413-8
Published in American Chemical Society - Catalysis, 2021
Recommended citation: 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: “The Open Catalyst 2020 (OC20) Dataset and Community Challenges”, ACS Catalysis 2021
Published in arxiv:2010.09435v1, 2020
Recommended citation: 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: “An Introduction to Electrocatalyst Design using Machine Learning for Renewable Energy Storage”, 2020; arXiv:2010.09435.
Published in Journal of Chemical Information and Modeling, 2019
Recommended citation: Aini Palizhati, Wen Zhong, Seoin Back, Zachary Ulissi, "Toward Predicting Intermetallics Surface Properties with High-Throughput DFT and Convolutional Neural Networks". Journal of Chemical Information and Modeling, 2019.
Published in Journal of Chemical Information and Modeling, 2018
Recommended citation: Kevin Tran, Aini Palizhati, Seoin Back, Zachary Ulissi, "Dynamic Workflows for Routine Materials Discovery in Surface Science". Journal of Chemical Information and Modeling, 2018.