Articleposted 2023-11-29 15:58:18
Tailoring the quantum anomalous layer Hall effect in multiferroic bilayers through sliding
Mingwen Zhao, Kehan Liu, Xikui Ma, Yangyang Li
Under Review
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Articleposted 2023-11-29 15:07:54
Predicting polymerization reactions via transfer learning using chemical language models
Ronaldo Giro, Brenda Ferrari, Matteo Manica, Teodoro Laino, Mathias Steiner
Under Review
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Articleposted 2023-11-16 06:20:16
Dynamical phase-field model of cavity electromagnonic systems
Jia-Mian Hu, Shihao Zhuang, Changchun Zhong, Liang Jiang, Xufeng Zhang
Under Review
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Articleposted 2023-11-13 07:32:03
Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials
Viktor Zaverkin, David Holzmüller, Henrik Christiansen, Federico Errica, Francesco Alesiani, Makoto Takamoto, Mathias Niepert, and 1 more authors
Under Review
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Articleposted 2023-11-08 13:10:23
Spontaneous Donor Defects and Voltage–Assisted Hole Doping in Beta-Gallium Oxides under Multiple Epitaxy Conditions
Guangfu Luo, Chenxi Nie, kai Liu, Chengxuan Ke, Xisong Jiang, Yifeng He, Yonghong Deng, and 1 more authors
Under Review
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Articleposted 2023-11-01 03:04:49
Global Ranking of the Sensitivity of Interaction Potential Contributions within Classical Molecular Dynamics Force Fields
Peter Coveney, Wouter Edeling, Maxime Vassaux, Yiming Yang, Shunzhou Wan, Serge Guillas
Under Review
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Articleposted 2023-10-27 15:59:33
Intrinsic Piezoelectric Anisotropy of Tetragonal ABO3 Perovskites: A High-Throughput Study
Fanhao Jia, Shaowen Xu, Shunbo Hu, Jianguo Chen, Yongchen Wang, Yuan Li, Wei Ren, and 1 more authors
Under Review
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Articleposted 2023-10-11 01:58:52
The Energy Landscape of Magnetic Materials
Louis Ponet, Enrico Di Lucente, Nicola Marzari
Under Revision
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Articleposted 2023-09-28 03:11:05
Machine-learning potentials for nanoscale simulations of deformation and fracture: example of TiB2 ceramic
Shuyao Lin, Luis Casillas-Trujillo, Ferenc Tasnadi, Lars Hultman, Paul H. Mayrhofer, Davide Sangiovanni, Nikola Koutná
Under Revision
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Articleposted 2023-09-22 09:50:10
Machine learning-enabled chemical space exploration of all-inorganic perovskites for photovoltaics
Jino Im, Jin-Soo Kim, Juhwan Noh
Under Review
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