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Kamal Choudhary

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Approaches for Uncertainty Quantification of AI-predicted Material Properties: A Comparison

Oct 19, 2023
Francesca Tavazza, Kamal Choudhary, Brian DeCost

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14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon

Jun 13, 2023
Kevin Maik Jablonka, Qianxiang Ai, Alexander Al-Feghali, Shruti Badhwar, Joshua D. Bocarsly Andres M Bran, Stefan Bringuier, L. Catherine Brinson, Kamal Choudhary, Defne Circi, Sam Cox, Wibe A. de Jong, Matthew L. Evans, Nicolas Gastellu, Jerome Genzling, María Victoria Gil, Ankur K. Gupta, Zhi Hong, Alishba Imran, Sabine Kruschwitz, Anne Labarre, Jakub Lála, Tao Liu, Steven Ma, Sauradeep Majumdar, Garrett W. Merz, Nicolas Moitessier, Elias Moubarak, Beatriz Mouriño, Brenden Pelkie, Michael Pieler, Mayk Caldas Ramos, Bojana Ranković, Samuel G. Rodriques, Jacob N. Sanders, Philippe Schwaller, Marcus Schwarting, Jiale Shi, Berend Smit, Ben E. Smith, Joren Van Heck, Christoph Völker, Logan Ward, Sean Warren, Benjamin Weiser, Sylvester Zhang, Xiaoqi Zhang, Ghezal Ahmad Zia, Aristana Scourtas, KJ Schmidt, Ian Foster, Andrew D. White, Ben Blaiszik

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AtomVision: A machine vision library for atomistic images

Dec 05, 2022
Kamal Choudhary, Ramya Gurunathan, Brian DeCost, Adam Biacchi

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Prediction of the electron density of states for crystalline compounds with Atomistic Line Graph Neural Networks (ALIGNN)

Jan 20, 2022
Prathik R Kaundinya, Kamal Choudhary, Surya R. Kalidindi

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Predicting Lattice Phonon Vibrational Frequencies Using Deep Graph Neural Networks

Nov 10, 2021
Nghia Nguyen, Steph-Yves Louis, Lai Wei, Kamal Choudhary, Ming Hu, Jianjun Hu

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Uncertainty Prediction for Machine Learning Models of Material Properties

Jul 16, 2021
Francesca Tavazza, Brian De Cost, Kamal Choudhary

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