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A list of all the posts and pages found on the site. For you robots out there is an XML version available for digesting as well.
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Who is Pari?
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publications
Dynamic Workflows for Routine Materials Discovery in Surface Science Permalink
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.
Toward Predicting Intermetallics Surface Properties with High-Throughput DFT and Convolutional Neural Networks Permalink
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.
An Introduction to Electrocatalyst Design using Machine Learning for Renewable Energy Storage Permalink
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.
The Open Catalyst 2020 (OC20) Dataset and Community Challenges Permalink
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
Agents for sequential learning using multiple-fidelity data Permalink
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
Screening of bimetallic electrocatalysts for water purification with machine learning Permalink
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.
AdsorbML: Accelerating Adsorption Energy Calculations with Machine Learning Permalink
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