Kamal Choudhary

15 papers Journal 15

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	AI-ready design of realistic 2D materials and interfaces with Mat3ra-2D. CoRR Vsevolod Biryukov, Kamal Choudhary, Timur Bazhirov
2026	J	`jnl`	M-CODE: Materials Categorization via Ontology, Dimensionality and Evolution. CoRR Vsevolod Biryukov, Kamal Choudhary, Timur Bazhirov
2025	J	`jnl`	A practical guide to machine learning interatomic potentials - Status and future. CoRR Ryan Jacobs, Dane Morgan, Siamak Attarian, Jun Meng, Chen Shen, Zhenghao Wu, Clare Yijia Xie, Julia H. Yang, Nongnuch Artrith, Ben Blaiszik, Gerbrand Ceder, Kamal Choudhary, Gábor Csányi, Ekin Dogus Cubuk, Bowen Deng, Ralf Drautz, Xiang Fu, Jonathan Godwin, Vasant G. Honavar, Olexandr Isayev, Anders Johansson, Boris Kozinsky, Stefano Martiniani, Shyue Ping Ong, Igor Poltavsky, K. J. Schmidt, So Takamoto, Aidan Thompson, Julia Westermayr, Brandon M. Wood
2025	J	`jnl`	AGAPI-Agents: An Open-Access Agentic AI Platform for Accelerated Materials Design on AtomGPT.org. CoRR Jaehyung Lee, Justin Ely, Kent Zhang, Akshaya Ajith, Charles Rhys Campbell, Kamal Choudhary
2025	J	`jnl`	AtomBench: A Benchmark for Generative Atomic Structure Models using GPT, Diffusion, and Flow Architectures. CoRR Charles Rhys Campbell, Aldo H. Romero, Kamal Choudhary
2025	J	`jnl`	ParquetDB: A Lightweight Python Parquet-Based Database. CoRR Logan Lang, Eduardo Hernández, Kamal Choudhary, Aldo H. Romero
2025	J	`jnl`	ParquetDB: A Lightweight Python Parquet-Based Database. J. Open Source Softw. Logan Lang, Eduardo Hernández, Kamal Choudhary, Aldo H. Romero
2023	J	`jnl`	14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon. CoRR 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 Rankovic, Samuel G. Rodriques, Jacob N. Sanders, Philippe Schwaller, Marcus Schwarting, Jiale Shi, Berend Smit, Ben E. Smith, Joren Van Heck, Christoph Völker, Logan T. Ward, Sean Warren, Benjamin Weiser, Sylvester Zhang, Xiaoqi Zhang, Ghezal Ahmad Zia, Aristana Scourtas, K. J. Schmidt, Ian T. Foster, Andrew D. White, Ben Blaiszik
2023	J	`jnl`	Approaches for Uncertainty Quantification of AI-predicted Material Properties: A Comparison. CoRR Francesca Tavazza, Kamal Choudhary, Brian DeCost
2023	J	`jnl`	AtomVision: A Machine Vision Library for Atomistic Images. J. Chem. Inf. Model. Kamal Choudhary, Ramya Gurunathan, Brian DeCost, Adam J. Biacchi
2023	J	`jnl`	Interpretable Ensemble Learning for Materials Property Prediction with Classical Interatomic Potentials: Carbon as an Example. CoRR Xinyu Jiang, Haofan Sun, Kamal Choudhary, Houlong Zhuang, Qiong Nian
2023	J	`jnl`	MPpredictor: An Artificial Intelligence-Driven Web Tool for Composition-Based Material Property Prediction. J. Chem. Inf. Model. Vishu Gupta, Kamal Choudhary, Yuwei Mao, Kewei Wang, Francesca Tavazza, Carelyn Campbell, Wei-keng Liao, Alok N. Choudhary, Ankit Agrawal
2022	J	`jnl`	Prediction of the electron density of states for crystalline compounds with Atomistic Line Graph Neural Networks (ALIGNN). CoRR Prathik R. Kaundinya, Kamal Choudhary, Surya R. Kalidindi
2021	J	`jnl`	Predicting Lattice Phonon Vibrational Frequencies Using Deep Graph Neural Networks. CoRR Nghia Nguyen, Steph-Yves M. Louis, Lai Wei, Kamal Choudhary, Ming Hu, Jianjun Hu
2021	J	`jnl`	Uncertainty Prediction for Machine Learning Models of Material Properties. CoRR Francesca Tavazza, Brian DeCost, Kamal Choudhary