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Kamal Choudhary

national institute of standards and technology

37H-index
883Paper Count
6.4KCitation Count
Published Papers 80
Publication Date
Evaluating large language models for inverse semiconductor design
err2026-01-30
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errOAAI
errMuhammed Nur Talha Kilic; Daniel Wines; Kamal Choudhary; Vishu Gupta; Youjia Li; Sayak Chakrabarty; Wei-Keng Liao; Alok Choudhary; Ankit Agrawal
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Predicting Lattice Parameters from Atomic-Scale Images of Two Dimensional Materials Using Deep Learning
err2025-12-01
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PREAI
errChakrabarty, Sayak; Choudhary, Kamal; Wines, Daniel; Li, Youjia; Gupta, Vishu; Kilic, Muhammed Nur Talha; Choudhary, Alok; Agrawal, Ankit
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Interpretable ensemble learning for materials property prediction with classical interatomic potentials
err2025-10-24
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errOAAI
errXinyu Jiang; Haofan Sun; Kamal Choudhary; Houlong Zhuang; Qiong Nian
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Intrinsic direct air capture
err2025-09-11
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errOAAI
errAustin McDannald; Daniel W. Siderius; Brian DeCost; Kamal Choudhary; Diana L. Ortiz-Montalvo
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Examining generalizability of AI models for catalysis
err2025-06-07
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PREAI
errShih-Han Wang; Hongliang Xin; Luke E.K. Achenie; Kamal Choudhary
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Quantum Monte Carlo and Density Functional Theory Study of Strain and Magnetism in 2D 1T-VSe2 with Charge Density Wave States
err2025-03-07
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PREAI
errWines, D; Ibrahim, A; Gudibandla, N; Adel, T; Abel, FM; Jois, S; Saritas, K; Krogel, JT; Yin, L; Berlijn, T; Hanbicki, AT; Stephen, GM; Friedman, AL; Krylyuk, S; Davydov, AV; Donovan, B; Jamer, ME; Walker, ARH; Choudhary, K; Tavazza, F; Ataca, C
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Hybrid-LLM-GNN: integrating large language models and graph neural networks for enhanced materials property prediction
err2025-01-01
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errOAAI
errLi, Youjia; Gupta, Vishu; Kilic, Muhammed Nur Talha; Choudhary, Kamal; Wines, Daniel; Liao, Wei-keng; Choudhary, Alok; Agrawal, Ankit
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Predicting magnetic properties of van der Waals magnets using graph neural networks
err2024-11-04
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PREAI
errMinch, Peter; Bhattarai, Romakanta; Choudhary, Kamal; Rhone, Trevor David
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Origin of unique electronic structures of single-atom alloys unraveled by interpretable deep learning
err2024-10-22
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PREAI
errHuang, Yang; Wang, Shih-Han; Achenie, Luke E. K.; Choudhary, Kamal; Xin, Hongliang
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Setting standards for data driven materials science
err2024-10-01
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errOAAI
errButler, Keith T.; Choudhary, Kamal; Csanyi, Gabor; Ganose, Alex M.; Kalinin, Sergei V.; Morgan, Dane
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JARVIS-Leaderboard: a large scale benchmark of materials design methods
err2024-05-07
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errOAAI
errChoudhary, Kamal; Wines, Daniel; Li, Kangming; Garrity, Kevin F.; Gupta, Vishu; Romero, Aldo H.; Krogel, Jaron T.; Saritas, Kayahan; Fuhr, Addis; Ganesh, Panchapakesan; Kent, Paul R. C.; Yan, Keqiang; Lin, Yuchao; Ji, Shuiwang; Blaiszik, Ben; Reiser, Patrick; Friederich, Pascal; Agrawal, Ankit; Tiwary, Pratyush; Beyerle, Eric; Minch, Peter; Rhone, Trevor David; Takeuchi, Ichiro; Wexler, Robert B.; Mannodi-Kanakkithodi, Arun; Ertekin, Elif; Mishra, Avanish; Mathew, Nithin; Wood, Mitchell; Rohskopf, Andrew Dale; Hattrick-Simpers, Jason; Wang, Shih-Han; Achenie, Luke E. K.; Xin, Hongliang; Williams, Maureen; Biacchi, Adam J.; Tavazza, Francesca
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Exploiting redundancy in large materials datasets for efficient machine learning with less data (vol 14, 7283, 2023)
err2024-01-04
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errOAAI
errLi, Kangming; Persaud, Daniel; Choudhary, Kamal; DeCost, Brian; Greenwood, Michael; Hattrick-Simpers, Jason
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Structure-aware graph neural network based deep transfer learning framework for enhanced predictive analytics on diverse materials datasets
err2024-01-02
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errOAAI
errGupta, Vishu; Choudhary, Kamal; Decost, Brian; Tavazza, Francesca; Campbell, Carelyn; Liao, Wei-keng; Choudhary, Alok; Agrawal, Ankit
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Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
err2024-01-01
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errOAAI
errEvans, Matthew L.; Bergsma, Johan; Merkys, Andrius; Andersen, Casper W.; Andersson, Oskar B.; Beltran, Daniel; Blokhin, Evgeny; Boland, Tara M.; Castaneda Balderas, Ruben; Choudhary, Kamal; Diaz Diaz, Alberto; Dominguez Garcia, Rodrigo; Eckert, Hagen; Eimre, Kristjan; Fuentes Montero, Maria Elena; Krajewski, Adam M.; Mortensen, Jens Jorgen; Napoles Duarte, Jose Manuel; Pietryga, Jacob; Qi, Ji; Trejo Carrillo, Felipe de Jesus; Vaitkus, Antanas; Yu, Jusong; Zettel, Adam; de Castro, Pedro Baptista; Carlsson, Johan; Cerqueira, Tiago F. T.; Divilov, Simon; Hajiyani, Hamidreza; Hanke, Felix; Jose, Kevin; Oses, Corey; Riebesell, Janosh; Schmidt, Jonathan; Winston, Donald; Xie, Christen; Yang, Xiaoyu; Bonella, Sara; Botti, Silvana; Curtarolo, Stefano; Draxl, Claudia; Fuentes Cobas, Luis Edmundo; Hospital, Adam; Liu, Zi-Kui; Marques, Miguel A. L.; Marzari, Nicola; Morris, Andrew J.; Ong, Shyue Ping; Orozco, Modesto; Persson, Kristin A.; Thygesen, Kristian S.; Wolverton, Chris; Scheidgen, Markus; Toher, Cormac; Conduit, Gareth J.; Pizzi, Giovanni; Grazulis, Saulius; Rignanese, Gian-Marco; Armiento, Rickard
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