Articleposted 2025-12-25 19:37:33
Inverse Design of High-Entropy Superalloys Using Machine Learning and Generative Artificial Intelligence
François Rousseau, Thierry Belmonte, Frédéric Sur, Alexandre Nominé
Under Review
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Articleposted 2025-12-19 18:45:38
Closed-Loop Workflow of High-Entropy Materials Discovery: Efficient and Accurate Synthesizability Prediction via Domain-Specific Local LLMs
Yeongjun Yoon, Geun Ho Gu, Kyeounghak Kim
Under Review
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Articleposted 2025-12-15 11:16:11
Three-dimensional deconvolution for large-angle illumination annular dark-field scanning transmission electron microscopy depth sectioning
Taichi Kusumi, Hajime Ueda, Toshihiro Futazuka, Masatoshi Hanai, Shun Katakami, Kazuaki Kawahara, Ryo Ishikawa, and 2 more authors
Under Review
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Articleposted 2025-12-11 03:52:31
TEM Agent: enhancing transmission electron microscopy (TEM) with modern AI tools
Morgan K. Wall, Alexander J. Pattison, Edward S. Barnard, Stephanie M. Ribet, Peter Ercius
Under Review
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Articleposted 2025-12-03 03:55:50
Equivalence of charged and neutral density functional formulations for correcting the many-body self-interaction of polarons
Stefano Falletta, Jennifer Coulter, Joel B. Varley, Daniel Åberg, Babak Sadigh, Boris Kozinsky, Alfredo Pasquarello
Under Review
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Articleposted 2025-12-01 20:16:28
Spatio-temporal, multi-field deep learning of shock propagation in meso-structured media
M. Giselle Fernández-Godino, Meir H. Shachar, Kevin Korner, Jonathan L. Belof, Mukul Kumar, Jonathan Lind, William J. Schill
Under Review
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Articleposted 2025-11-18 09:35:40
PRISM: Periodic Representation with multIscale and Similarity graph Modelling for enhanced crystal structure property prediction
Âlex Solé, Albert Mosella-Montoro, Joan Cardona, Daniel Aravena, Silvia Gómez-Coca, Eliseo Ruiz, Javier Ruiz-Hidalgo
Under Review
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Articleposted 2025-11-14 16:01:31
Flexible Uncertainty Calibration for Machine-Learned Interatomic Potentials
Cheuk Hin Ho, Christoph Ortner, Yangshuai Wang
Under Review
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Articleposted 2025-11-14 03:09:30
Promising ferroelectric metal EuAuBi with switchable giant shift current
Guangrong Tan, Jinyu Zou, Gang Xu
Under Review
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Articleposted 2025-11-12 07:28:45
Topology-enabled Quantum Toroidal Moment in Carbon Nanotori
Arkamita Bandyopadhyay, Jamal Berakdar
Under Review
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