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检索条件"机构=Computational Science and Engineering Program"
866 条 记 录,以下是311-320 订阅
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Critical pore radius and transport properties of disordered hard- and overlapping-sphere models
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Physical Review E 2021年 第1期104卷 014127-014127页
作者: Michael A. Klatt Robert M. Ziff Salvatore Torquato Department of Physics Princeton University Princeton New Jersey 08544 USA Institut für Theoretische Physik FAU Erlangen-Nürnberg Staudtstr. 7 91058 Erlangen Germany Center for the Study of Complex Systems and Department of Chemical Engineering University of Michigan Ann Arbor Michigan 48109 USA Department of Chemistry Princeton Institute for the Science and Technology of Materials and Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA
Transport properties of porous media are intimately linked to their pore-space microstructures. We quantify geometrical and topological descriptors of the pore space of certain disordered and ordered distributions of ... 详细信息
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Biases in inverse Ising estimates of near-critical behavior
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Physical Review E 2023年 第1期108卷 014109-014109页
作者: Maximilian B. Kloucek Thomas Machon Shogo Kajimura C. Patrick Royall Naoki Masuda Francesco Turci School of Physics HH Wills Physics Laboratory University of Bristol Tyndall Avenue Bristol BS8 1TL United Kingdom Bristol Centre for Functional Nanomaterials HH Wills Physics Laboratory University of Bristol Tyndall Avenue Bristol BS8 1TL United Kingdom Faculty of Information and Human Sciences Kyoto Institute of Technology Kyoto 606-8585 Japan Gulliver UMR CNRS 7083 ESPCI Paris Université PSL 75005 Paris France Department of Mathematics State University of New York at Buffalo Buffalo New York 14260-2900 USA Computational and Data-Enabled Science and Engineering Program State University of New York at Buffalo Buffalo New York 14260-5030 USA
Inverse Ising inference allows pairwise interactions of complex binary systems to be reconstructed from empirical correlations. Typical estimators used for this inference, such as pseudo-likelihood maximization (PLM),... 详细信息
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Correction to: Mitigation strategies against cascading failures within a project activity network
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Journal of computational Social science 2021年 第1期5卷 1097-1098页
作者: Ellinas, Christos Nicolaides, Christos Masuda, Naoki Nodes and Links Ltd Cambridge UK Department of Business and Public Administration University of Cyprus Nicosia Cyprus Initiative on the Digital Economy Massachusetts Institute of Technology Cambridge USA Department of Mathematics State University of New York at Buffalo Buffalo USA Computational and Data-Enabled Science and Engineering Program State University of New York at Buffalo Buffalo USA Faculty of Management and Economics Dalian University of Technology Dalian China
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Deep learning for drug repurposing: methods, databases, and applications
arXiv
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arXiv 2022年
作者: Pan, Xiaoqin Lin, Xuan Cao, Dongsheng Zeng, Xiangxiang Yu, Philip S. He, Lifang Nussinov, Ruth Cheng, Feixiong School of Computer Science and Engineering Hunan University China School of Computer Science Xiangtan University China Xiangya School of Pharmaceutical Sciences Central South University China Department of Computer Science University of Illinois at Chicago United States Department of Computer Science and Engineering Lehigh University United States Computational Structural Biology Section Basic Science Program Frederick National Laboratory for Cancer Research National Cancer Institute at Frederick FrederickMD21702 United States Department of Human Molecular Genetics and Biochemistry Sackler School of Medicine Tel Aviv University Tel Aviv69978 Israel Genomic Medicine Institute Lerner Research Institute Cleveland Clinic ClevelandOH44195 United States Department of Molecular Medicine Cleveland Clinic Lerner College of Medicine Case Western Reserve University ClevelandOH44195 United States Case Comprehensive Cancer Center Case Western Reserve University School of Medicine ClevelandOH44106 United States
Drug development is time-consuming and expensive. Repurposing existing drugs for new therapies is an attractive solution that accelerates drug development at reduced experimental costs, specifically for Coronavirus Di... 详细信息
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OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials
arXiv
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arXiv 2023年
作者: Eastman, Peter Galvelis, Raimondas Peláez, Raúl P. Abreu, Charlles R.A. Farr, Stephen E. Gallicchio, Emilio Gorenko, Anton Henry, Michael M. Hu, Frank Huang, Jing Krämer, Andreas Michel, Julien Mitchell, Joshua A. Pande, Vijay S. Rodrigues, João P.G.L.M. Rodriguez-Guerra, Jaime Simmonett, Andrew C. Singh, Sukrit Swails, Jason Turner, Philip Wang, Yuanqing Zhang, Ivy Chodera, John D. De Fabritiis, Gianni Markland, Thomas E. Department of Chemistry Stanford University StanfordCA94305 United States Acellera Labs C Dr Trueta 183 Barcelona08005 Spain C Dr. Aiguader 88 Barcelona08003 Spain Chemical Engineering Department School of Chemistry Federal University of Rio de Janeiro Rio de Janeiro68542 Brazil Redesign Science Inc. 180 Varick St. New YorkNY10014 United States EaStCHEM School of Chemistry University of Edinburgh EH9 3FJ United Kingdom Department of Chemistry and Biochemistry Brooklyn College The City University of New York NY United States Ph.D. Program in Chemistry Ph.D. Program in Biochemistry The Graduate Center of the City University of New York New YorkNY United States Stream HPC Koningin Wilhelminaplein 1 - 40601 Amsterdam1062 HG Netherlands Computational and Systems Biology Program Sloan Kettering Institute Memorial Sloan Kettering Cancer Center New YorkNY10065 United States Key Laboratory of Structural Biology of Zhejiang Province School of Life Sciences Westlake University 18 Shilongshan Road Zhejiang Hangzhou310024 China Department of Mathematics and Computer Science Freie Universität Berlin Arnimallee 12 Berlin14195 Germany The Open Force Field Initiative Open Molecular Software Foundation DavisCA95616 United States Andreessen Horowitz 2865 Sand Hill Rd Menlo ParkCA94025 United States Department of Structural Biology Stanford University StanfordCA94305 United States Charité Universitätsmedizin Berlin In silico Toxicology and Structural Bioinformatics Virchowweg 6 Berlin10117 Germany Laboratory of Computational Biology National Heart Lung and Blood Institute National Institutes of Health BethesdaMD20892 United States Entos Inc. 9310 Athena Circle La Jolla CA92037 United States College of Engineering Virginia Polytechnic Institute State University BlacksburgVA24061 United States Simons Center for Computational Physical Chemistry Center for Data Science New York University 24 Waverly Place New YorkNY10004 United States T
Machine learning plays an important and growing role in molecular simulation. The newest version of the OpenMM molecular dynamics toolkit introduces new features to support the use of machine learning potentials. Arbi... 详细信息
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Phase Transformations, Microstructural Refinement and Defect Evolution Mechanisms in Al-Si Alloys under Non-Hydrostatic Diamond Anvil Cell Compression
SSRN
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SSRN 2020年
作者: Liu, Tingkun Olszta, Matthew Gwalani, Bharat Park, Changyong Mathaudhu, Suveen Devaraj, Arun Physical and Computational Science Directorate Pacific Northwest National Laboratory Energy and Environment Directorate Pacific Northwest National Laboratory High Pressure Collaborative Access Team X-ray Science Division Argonne National Laboratory Material Science and Engineering Program University of California Riverside Mechanical Engineering Department University of California Riverside
Non-hydrostatic compression of materials using a diamond anvil cell (DAC) can transform equilibrium microstructure of an alloy to novel, potentially metastable states. In this study, in situ synchrotron X-ray diffract... 详细信息
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Metallic vs. Semiconducting properties of quasi-one-dimensional tantalum selenide van der Waals nanoribbons
arXiv
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arXiv 2021年
作者: Kargar, Fariborz Krayev, Andrey Wurch, Michelle Ghafouri, Yassamin Debnath, Topojit Wickramaratne, Darshana Salguero, Tina T. Lake, Roger Bartels, Ludwig Balandin, Alexander A. Center Department of Electrical and Computer Engineering University of California RiversideCA92521 United States HORIBA Scientific NovatoCA94949 United States Department of Chemistry and Material Science and Engineering Program University of California RiversideCA92521 United States Department of Chemistry University of Georgia AthensGA30602 United States Laboratory for Terahertz and Terascale Electronics Department of Electrical and Computer Engineering University of California RiversideCA92521 United States Center for Computational Materials Science U.S. Naval Research Laboratory WashingtonDC20375 United States
We conducted a tip-enhanced Raman scattering spectroscopy (TERS) and photoluminescence (PL) study of quasi-1D TaSe3-δ nanoribbons exfoliated onto gold substrates. At a selenium deficiency of δ~0.25 (Se/Ta=2.75,), th... 详细信息
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Recurrence in the evolution of air transport networks
arXiv
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arXiv 2020年
作者: Sugishita, Kashin Masuda, Naoki State University of New York at Buffalo Department of Mathematics Buffalo14260-2900 United States State University of New York at Buffalo Computational and Data-Enabled Science and Engineering Program Buffalo14260-2900 United States Waseda University Faculty of Science and Engineering Tokyo169-8555 Japan
Changes in air transport networks over time may be induced by competition among carriers, changes in regulations on airline industry, and socioeconomic events such as terrorist attacks and epidemic outbreaks. Such net... 详细信息
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When data disappear: public health pays as US policy strays
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The Lancet Digital Health 2025年 100874页
作者: McAndrew, Thomas Lover, Andrew A Hoyt, Garrik Majumder, Maimuna S Department of Biostatistics and Health Data Science College of Health Lehigh University BethlehemPA United States Department of Biostatistics and Epidemiology School of Public Health and Health Sciences University of Massachusetts Amherst AmherstMA United States Department of Computer Science and Engineering PC Rossin College of Engineering and Applied Sciences Lehigh University BethlehemPA United States Department of Pediatrics Harvard Medical School BostonMA United States Computational Health Informatics Program Boston Children's Hospital BostonMA United States
Presidential actions on Jan 20, 2025, by President Donald Trump, including executive orders, have delayed access to or led to the removal of crucial public health data sources in the USA. The continuous collection and... 详细信息
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Scientific discovery in the age of artificial intelligence
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NATURE 2023年 第7978期621卷 E33-E33页
作者: Wang, Hanchen Fu, Tianfan Du, Yuanqi Gao, Wenhao Huang, Kexin Liu, Ziming Chandak, Payal Liu, Shengchao Van Katwyk, Peter Deac, Andreea Anandkumar, Anima Bergen, Karianne Gomes, Carla P. Ho, Shirley Kohli, Pushmeet Lasenby, Joan Leskovec, Jure Liu, Tie-Yan Manrai, Arjun Marks, Debora Ramsundar, Bharath Song, Le Sun, Jimeng Tang, Jian Velickovic, Petar Welling, Max Zhang, Linfeng Coley, Connor W. Bengio, Yoshua Zitnik, Marinka Department of Engineering University of Cambridge Cambridge UK Department of Computing and Mathematical Sciences California Institute of Technology Pasadena CA USA NVIDIA Santa Clara CA USA Department of Computational Science and Engineering Georgia Institute of Technology Atlanta GA USA Department of Computer Science Cornell University Ithaca NY USA Department of Chemical Engineering Massachusetts Institute of Technology Cambridge MA USA Department of Electrical Engineering and Computer Science Massachusetts Institute of Technology Cambridge MA USA Department of Computer Science Stanford University Stanford CA USA Department of Physics Massachusetts Institute of Technology Cambridge MA USA Harvard-MIT Program in Health Sciences and Technology Cambridge MA USA Mila – Quebec AI Institute Montreal Quebec Canada Université de Montréal Montreal Quebec Canada HEC Montréal Montreal Quebec Canada CIFAR AI Chair Toronto Ontario Canada Department of Earth Environmental and Planetary Sciences Brown University Providence RI USA Data Science Institute Brown University Providence RI USA Center for Computational Astrophysics Flatiron Institute New York NY USA Department of Astrophysical Sciences Princeton University Princeton NJ USA Department of Physics Carnegie Mellon University Pittsburgh PA USA Department of Physics and Center for Data Science New York University New York NY USA Google DeepMind London UK Department of Computer Science and Technology University of Cambridge Cambridge UK Microsoft Research Beijing China Department of Biomedical Informatics Harvard Medical School Boston MA USA Broad Institute of MIT and Harvard Cambridge MA USA Harvard Data Science Initiative Cambridge MA USA Kempner Institute for the Study of Natural and Artificial Intelligence Harvard University Cambridge MA USA Department of Systems Biology Harvard Medical School Boston MA USA Deep Forest Sciences Palo Alto CA USA BioMap Beijing China Mo
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