Results 11 to 20 of about 17,749,413 (318)
Membership Inference Attacks From First Principles [PDF]
IEEE Symposium on Security and Privacy, 2021 A membership inference attack allows an adversary to query a trained machine learning model to predict whether or not a particular example was contained in the model’s training dataset.
Nicholas Carlini +5 more
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Electron–phonon physics from first principles using the EPW code [PDF]
npj Computational Materials, 2023 EPW is an open-source software for ab initio calculations of electron–phonon interactions and related materials properties. The code combines density functional perturbation theory and maximally localized Wannier functions to efficiently compute electron–
Hyungjun Lee +18 more
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Compositional Generalization from First Principles [PDF]
Neural Information Processing Systems, 2023 Leveraging the compositional nature of our world to expedite learning and facilitate generalization is a hallmark of human perception. In machine learning, on the other hand, achieving compositional generalization has proven to be an elusive goal, even ...
Thaddäus Wiedemer +3 more
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Scientific Reports, 2021 Recently, a new two-dimensional allotrope of carbon (biphenylene) was experimentally synthesized. Using first-principles calculations, we systematically investigated the structural, mechanical, electronic, and HER properties of biphenylene.
Yi Luo +5 more
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Advances in Materials, 2021 Density functional theory calculations are robust tools to explore the mechanical properties of pristine structures at their ground state but become exceedingly expensive for large systems at finite temperatures.
B. Mortazavi +5 more
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Efficient calculation of carrier scattering rates from first principles [PDF]
Nature Communications, 2020 The electronic transport behaviour of materials determines their suitability for technological applications. We develop a computationally efficient method for calculating carrier scattering rates of solid-state semiconductors and insulators from first ...
A. Ganose +5 more
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Defect tolerance in halide perovskites: A first-principles perspective
Journal of Applied Physics, 2022 In recent years, the impressive photovoltaic performance of halide perovskites has been commonly attributed to their defect tolerance. This attribution is seemingly intuitive and has been widely promoted in the field, though it has not been rigorously ...
Xie Zhang +3 more
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Exceptional piezoelectricity, high thermal conductivity and stiffness and promising photocatalysis in two-dimensional MoSi2N4 family confirmed by first-principles [PDF]
, 2020 Chemical vapor deposition has been most recently employed to fabricate centimeter-scale high-quality single-layer MoSi2N4 (Science; 2020;369; 670).
B. Mortazavi +5 more
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Perspectives on the integration between first-principles and data-driven modeling
Computers and Chemical Engineering, 2022 ,
William Bradley +7 more
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Results in Physics, 2022 The double perovskite multiferroic materials Bi2FeCrO6 have a more remarkable improvement in magnetoelectricity, photovoltaic, and photocatalysis performance than BiFeO3.
Xing-Yuan Chen +8 more
doaj +1 more source