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检索条件"机构=Department of Chemical Engineering and Program in Applied Mathematics"
1989 条 记 录,以下是231-240 订阅
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Mechanism of skyrmion condensation and pairing for twisted bilayer graphene
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Physical Review B 2022年 第18期105卷 184505-184505页
作者: Dian Jing Alexander Conkey Tyner Pallab Goswami Department of Physics and Astronomy Northwestern University Evanston Illinois 60208 USA Department of Chemical and Biological Engineering Northwestern University Evanston Illinois 60208 USA Integrated Science Program Northwestern University Evanston Illinois 60208 USA Graduate Program in Applied Physics Northwestern University Evanston Illinois 60208 USA
When quantum flavor Hall insulator phases of itinerant fermions are disordered by strong quantum fluctuations, the condensation of skyrmion textures of order parameter fields can lead to superconductivity. In this wor... 详细信息
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MIXED-INTEGER OPTIMISATION OF GRAPH NEURAL NETWORKS FOR COMPUTER-AIDED MOLECULAR DESIGN
arXiv
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arXiv 2023年
作者: Schweidtmann, Artur M. McDonald, Tom Tsay, Calvin Yorke-Smith, Neil Delft Institute of Applied Mathematics Delft University of Technology Delft Netherlands Department of Computing Imperial College London London United Kingdom Department of Chemical Engineering Delft University of Technology Delft Netherlands STAR Lab Delft University of Technology Delft Netherlands
ReLU neural networks have been modelled as constraints in mixed integer linear programming (MILP), enabling surrogate-based optimisation in various domains and efficient solution of machine learning certification prob... 详细信息
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Efficient Removal of Amoxicillin, Ciprofloxacin, and Tetracycline from Aqueous Solution Utilizing Cu-Doped Bi2O3 Material
SSRN
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SSRN 2023年
作者: Sa’adah, Fatkhiyatus Sutanto, Heri Hadiyanto, H. Alkian, Ilham Doctoral Program of Environmental Science School of Postgraduate Diponegoro University Semarang50275 Indonesia Department of Physics Faculty of Science and Mathematics Diponegoro University Semarang50275 Indonesia Department of Chemical Engineering Faculty of Engineering Diponegoro University Semarang50275 Indonesia Diponegoro University Semarang50275 Indonesia
This study investigates the effectiveness of the Cu-doped Bi2O3 method for removing antibiotics. Cu at varying concentrations of 0%, 2%, 4%, 6%, and 8% was used to synthesize Bi2O3 material successfully. The optimal r... 详细信息
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DATA-DRIVEN MORI-ZWANZIG: REDUCED ORDER MODELING OF SPARSE SENSORS MEASUREMENTS FOR BOUNDARY LAYER TRANSITION
arXiv
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arXiv 2023年
作者: Woodward, Michael Tian, Yifeng Mohan, Arvind Lin, Yen Ting Hader, Christoph Fasel, Hermann Chertkov, Michael Livescu, Daniel Computer Computational and Statistical Sciences Division Los Alamos National Laboratory Los AlamosNM87544 United States Graduate Interdisciplinary Program in Applied Mathematics Department of Mathematics University of Arizona TucsonAZ85721 United States Department of Aerospace and Mechanical Engineering University of Arizona TucsonAZ85721 United States
Understanding, predicting and controlling laminar-turbulent boundary-layer transition is crucial for the next generation aircraft design. However, in real flight experiments, or wind tunnel tests, often only sparse se... 详细信息
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Ground state phases of the two-dimension electron gas with a unified variational approach
arXiv
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arXiv 2024年
作者: Smith, Conor Chen, Yixiao Levy, Ryan Yang, Yubo Morales, Miguel A. Zhang, Shiwei Center for Computational Quantum Physics Flatiron Institute New YorkNY10010 United States Department of Electrical and Computer Engineering University of New Mexico AlbuquerqueNM87131 United States Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States
The two-dimensional electron gas (2DEG) is a fundamental model, which is drawing increasing interest because of recent advances in experimental and theoretical studies of 2D materials. Current understanding of the gro... 详细信息
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Reliable Extrapolation of Deep Neural Operators Informed by Physics or Sparse Observations
SSRN
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SSRN 2023年
作者: Zhu, Min Zhang, Handi Jiao, Anran Karniadakis, George Em Lu, Lu Department of Chemical and Biomolecular Engineering University of Pennsylvania PhiladelphiaPA19104 United States Graduate Group in Applied Mathematics and Computational Science University of Pennsylvania PhiladelphiaPA19104 United States Department of Computer and Information Science University of Pennsylvania PhiladelphiaPA19104 United States Division of Applied Mathematics Brown University ProvidenceRI02912 United States School of Engineering Brown University ProvidenceRI02912 United States
Deep neural operators can learn nonlinear mappings between infinite-dimensional function spaces via deep neural networks. As promising surrogate solvers of partial differential equations (PDEs) for real-time predictio... 详细信息
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Mori–Zwanzig Modal Decomposition
arXiv
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arXiv 2023年
作者: Woodward, Michael Tian, Yifeng Lin, Yen Ting Hader, Christoph Fasel, Hermann Livescu, Daniel Graduate Interdisciplinary Program in Applied Mathematics Department of Mathematics University of Arizona TucsonAZ85721 United States Computer Computational and Statistical Sciences Division Los Alamos National Laboratory Los AlamosNM87544 United States Department of Aerospace and Mechanical Engineering University of Arizona TucsonAZ85721 United States
We introduce the Mori-Zwanzig (MZ) Modal Decomposition (MZMD), a novel technique for performing modal analysis of large scale spatio-temporal structures in complex dynamical systems, and show that it represents an eff... 详细信息
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Data-Driven Mori-Zwanzig: Approaching a Reduced Order Model for Hypersonic Boundary Layer Transition
arXiv
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arXiv 2023年
作者: Woodward, Michael Tian, Yifeng Mohan, Arvind Lin, Yen Ting Hader, Christoph Fasel, Hermann Chertkov, Misha Livescu, Daniel Graduate Interdisciplinary Program in Applied Mathematics Department of Mathematics University of Arizona TucsonAZ85721 United States Computer Computational and Statistical Sciences Division Los Alamos National Laboratory Los AlamosNM87544 United States Department of Aerospace and Mechanical Engineering University of Arizona TucsonAZ85721 United States
In this work, we apply, for the first time to spatially inhomogeneous flows, a recently developed data-driven learning algorithm of Mori-Zwanzig (MZ) operators, which is based on a generalized Koopman’s description o... 详细信息
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CONSTRUCTING AND COMPRESSING GLOBAL MOMENT DESCRIPTORS FROM LOCAL ATOMIC ENVIRONMENTS
arXiv
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arXiv 2023年
作者: Gharakhanyan, Vahe Aalto, Max S. Alsoulah, Aminah Artrith, Nongnuch Urban, Alexander Department of Applied Physics and Applied Mathematics Columbia University New YorkNY United States Physics and Informatics Laboratories NTT Research Inc. SunnyvaleCA United States Department of Chemical Engineering Columbia University New YorkNY United States Debye Institute for Nanomaterials Science Utrecht University Utrecht Netherlands
Local atomic environment descriptors (LAEDs) are used in the materials science and chemistry communities, for example, for the development of machine learning interatomic potentials. Despite the fact that LAEDs have b... 详细信息
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One Set to Rule Them All: How to Obtain General chemical Conditions via Bayesian Optimization over Curried Functions
arXiv
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arXiv 2025年
作者: Schmid, Stefan P. Rajaonson, Ella Miray Ser, Cher Tian Haddadnia, Mohammad Leong, Shi Xuan Aspuru-Guzik, Alán Kristiadi, Agustinus Jorner, Kjell Strieth-Kalthoff, Felix Institute of Chemical and Bioengineering Department of Chemistry and Applied Biosciences ETH Zurich ZurichCH-8093 Switzerland Catalysis ETH Zurich ZurichCH-8093 Switzerland Department of Chemistry University of Toronto Toronto Canada Vector Institute Toronto Canada Department of Biological Chemistry & Molecular Pharmacology Harvard University CambridgeMA United States Dana-Farber Cancer Institute BostonMA United States School of Chemistry Chemical Engineering and Biotechnology Nanyang Technological University Singarpore Singapore Department of Computer Science University of Toronto Toronto Canada Department of Chemical Engineering and Applied Chemistry University of Toronto Toronto Canada Department of Materials Science and Engineering University of Toronto Toronto Canada Acceleration Consortium University of Toronto Toronto Canada Canada School of Mathematics and Natural Sciences University of Wuppertal Wuppertal Germany
General parameters are highly desirable in the natural sciences — e.g., chemical reaction conditions that enable high yields across a range of related transformations. This has a significant practical impact since th...
来源: 评论