Zobrazeno 1 - 10 of 58 pro vyhledávání: '"Arun Mannodi Kanakkithodi"'
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Akademický článek
JARVIS-Leaderboard: a large scale benchmark of materials design methods
Autor: Kamal Choudhary, Daniel Wines, Kangming Li, Kevin F. Garrity, Vishu Gupta, Aldo H. Romero, Jaron T. Krogel, Kayahan Saritas, Addis Fuhr, Panchapakesan Ganesh, Paul R. C. Kent, Keqiang Yan, Yuchao Lin, Shuiwang Ji, Ben Blaiszik, Patrick Reiser, Pascal Friederich, Ankit Agrawal, Pratyush Tiwary, Eric Beyerle, Peter Minch, Trevor David Rhone, Ichiro Takeuchi, Robert B. Wexler, Arun Mannodi-Kanakkithodi, Elif Ertekin, Avanish Mishra, Nithin Mathew, Mitchell Wood, Andrew Dale Rohskopf, Jason Hattrick-Simpers, Shih-Han Wang, Luke E. K. Achenie, Hongliang Xin, Maureen Williams, Adam J. Biacchi, Francesca Tavazza
Publikováno v: npj Computational Materials, Vol 10, Iss 1, Pp 1-17 (2024)
Abstract Lack of rigorous reproducibility and validation are significant hurdles for scientific development across many fields. Materials science, in particular, encompasses a variety of experimental and theoretical approaches that require careful be
Externí odkaz: https://doaj.org/article/dd95e89a6ffb48b6b7fe3dd56910340f
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3
Akademický článek
Accelerating defect predictions in semiconductors using graph neural networks
Autor: Md Habibur Rahman, Prince Gollapalli, Panayotis Manganaris, Satyesh Kumar Yadav, Ghanshyam Pilania, Brian DeCost, Kamal Choudhary, Arun Mannodi-Kanakkithodi
Publikováno v: APL Machine Learning, Vol 2, Iss 1, Pp 016122-016122-18 (2024)
First-principles computations reliably predict the energetics of point defects in semiconductors but are constrained by the expense of using large supercells and advanced levels of theory. Machine learning models trained on computational data, especi
Externí odkaz: https://doaj.org/article/d69c2a05bee64b1d8b4edec5e91a559c
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4
Akademický článek
Defective Ultrathin ZnIn2S4 for Photoreductive Deuteration of Carbonyls Using D2O as the Deuterium Source
Autor: Chuang Han, Guanqun Han, Shukai Yao, Lan Yuan, Xingwu Liu, Zhi Cao, Arun Mannodi‐Kanakkithodi, Yujie Sun
Publikováno v: Advanced Science, Vol 9, Iss 3, Pp n/a-n/a (2022)
Abstract Deuterium (D) labeling is of great value in organic synthesis, pharmaceutical industry, and materials science. However, the state‐of‐the‐art deuteration methods generally require noble metal catalysts, expensive deuterium sources, or h
Externí odkaz: https://doaj.org/article/0f74126e43514a54a92d32ff0879e6f1
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5
Akademický článek
Infrared-pump electronic-probe of methylammonium lead iodide reveals electronically decoupled organic and inorganic sublattices
Autor: Peijun Guo, Arun Mannodi-Kanakkithodi, Jue Gong, Yi Xia, Constantinos C. Stoumpos, Duyen H. Cao, Benjamin T. Diroll, John B. Ketterson, Gary P. Wiederrecht, Tao Xu, Maria K. Y. Chan, Mercouri G. Kanatzidis, Richard D. Schaller
Publikováno v: Nature Communications, Vol 10, Iss 1, Pp 1-8 (2019)
It has been challenging to probe whether dynamically disordered organic cations affect optical properties of CH3NH3PbI3. Here, Guo et al. employ infrared-pump electronic-probe spectroscopy and show that pump-induced atomic motions of the organic cati
Externí odkaz: https://doaj.org/article/4a05a36bfba44fe9a411cd2954d5f4bc
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