Articleposted 2024-09-30 01:15:25
Thermodynamically Informed Multimodal Learning of High-Dimensional Free Energy Models in Molecular Coarse Graining
Blake Duschatko, Xiang Fu, Cameron Owen, Yu Xie, Albert Musaelian, Tommi Jaakkola, Boris Kozinsky
Under Review
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Physical Sciences - Articleposted 2024-09-08 18:50:29
Nanoscale C–H/C–D mapping of organic materials using electron spectroscopy
Ryosuke Senga, Katsumi Hagita, Hsiao-Fang Wang, Koichi Mayumi, Tomohiro Miyata, Hiroshi Jinnai, Kazu Suenaga
Posted
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Articleposted 2024-04-16 14:41:12
A transferable molecular model for accurate thermodynamic studies of water in large-scale systems
Giancarlo Franzese, Luis Coronas, Oriol Vilanova
Posted
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Articleposted 2024-04-12 03:46:02
Data-Driven Modeling of Dislocation Mobility from Atomistics using Physics-Informed Machine Learning
Yifeng Tian, Soumendu Bagchi, Liam Myhill, Giacomo Po, Enrique Martinez Saez, Yen Ting Lin, Nithin Mathew, and 1 more authors
Published
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Articleposted 2024-01-11 00:47:50
Molecular Control via Dynamic Bonding Enables Material Responsiveness in Additively Manufactured Metallo-Polyelectrolytes
Seola Lee, Pierre Walker, Seneca Velling, Amylynn Chen, Zane Taylor, Cyrus Fiori, Vatsa Gandhi, and 2 more authors
Published
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Articleposted 2023-12-28 05:38:46
Tomography-based Digital Twin of Nd-Fe-B Permanent Magnets
Anton Bolyachkin, Ekaterina Dengina, Nikita Kulesh, Xin Tang, Hossein Sepehri-Amin, Tadakatsu Ohkubo, Kazuhiro Hono
Published
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Articleposted 2023-05-26 14:27:47
A catch bond mechanism with looped adhesive tethers for self-strengthening materials
Kerim Dansuk, Subhadeep Pal, Sinan Keten
Published
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Articleposted 2023-03-22 15:24:26
Thermodynamics of multi-sublattice battery active materials: from an extended regular solution theory to a phase-field model of LiMnFePO
Alexandros Vasileiadis, Pierfrancesco Ombrini, Marnix Wagemaker, Martin Bazant
Published
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Articleposted 2023-03-13 02:02:43
Diffusionless relaxation of half-skyrmion liquid, hexatic, and crystalline states in a chiral molecular crystal
Kyohei Takae, Kota Mitsumoto
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Articleposted 2023-02-09 01:45:55
Frank-Read Mechanism in Nematic Liquid Crystals
Cheng Long, Matthew Deutsch, Joseph Angelo, Christopher Culbreath, Hiroshi Yokoyama, Jonathan Selinger, Robin Selinger
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