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检索条件"机构=Computational Modeling and Design Laboratory"
21 条 记 录,以下是11-20 订阅
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A transferable machine-learning model of the electron density
arXiv
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arXiv 2018年
作者: Grisa, Andrea Wilkins, David M. Meyer, Benjamin A.R. Fabrizio, Alberto Corminboeuf, Clemence Ceriotti, Michele Laboratory of Computational Science and Modeling IMX Ecole Polytechnique Federale de Lausanne Lausanne1015 Switzerland Laboratory for Computational Molecular Design Institute of Chemical Sciences and Engineering Ecole Polytechnique Federale de Lausanne LausanneCH-1015 Switzerland
The electronic charge density plays a central role in determining the behavior of matter at the atomic scale, but its computational evaluation requires demanding electronic-structure calculations. We introduce an atom... 详细信息
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Conformational Folding Activates Photoinduced Electron Transfer
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CCS Chemistry 2024年 第11期6卷 2804-2813页
作者: Shiqing Huang Syed Ali Abbas Abedi Zhifeng Li Rongrong Huang Xiaoyu Yan Mohammad Izadyar Qinglong Qiao Yu Fang Zhaochao Xu Xiaogang Liu Fluorescence Research Group Singapore University of Technology and DesignSingapore 487372 School of Chemistry and Life Resources Renmin University of ChinaBeijing 100872 CAS Key Laboratory of Separation Science for Analytical Chemistry Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023 Research Center for Modeling and Computational Sciences Faculty of ScienceFerdowsi University of MashhadMashhad *** Key Laboratory of Applied Surface and Colloid Chemistry(Ministry of Education) School of Chemistry and Chemical EngineeringShaanxi Normal UniversityXi’anShaanxi 710119
Photoinduced electron transfer(PET)is a critical process in many functional materials,underpinning various technological applications(i.e.,fluorescent probes and photocatalysts).Despite its signifi-cance,the detailed ... 详细信息
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Screw dislocation structure and mobility in body centered cubic Fe predicted by a Gaussian Approximation Potential
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npj computational Materials 2018年 第1期4卷 90-96页
作者: Francesco Maresca Daniele Dragoni Gábor Csányi Nicola Marzari William A.Curtin Laboratory for Multiscale Mechanics Modeling(LAMMM) Institute of Mechanical EngineeringÉcole Polytechnique Fédérale de LausanneLausanne CH-1015Switzerland Theory and Simulation of Materials(THEOS) and National Centre for Computational Design and Discovery of Novel Materials(NCCR MARVEL)École Polytechnique Fédérale de LausanneLausanne CH-1015Switzerland Dipartimento di Scienza dei Materiali Universitàdi Milano-BicoccaVia R.Cozzi 55Milan I-20125Italy Department of Engineering University of CambridgeTrumpington StreetCambridge CB21PZUK
The plastic flow behavior of bcc transition metals up to moderate temperatures is dominated by the thermally activated glide of screw dislocations,which in turn is determined by the atomic-scale screw dislocation core... 详细信息
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hMTR4 plays a central role in creating balanced nuclear RNA pools for degradation and export
hMTR4 plays a central role in creating balanced nuclear RNA ...
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第九届全国核糖核酸学术讨论会
作者: Bin Kuai Guifen Wu Jing Fan Xudong Wu Binkai Chi Xingya Chang Lantian Wang Zhubing Shi Heng Zhang Ke Wang She Chen Zhisong He Zhaocai Zhou Guohui Li 程红 中科院上海生命科学院生化细胞所 Laboratory of Molecular Modeling and Design State Key Laboratory of Molecular Reaction DynamicsDalian Institute of Chemical PhysicsChinese Academy of Sciences National Institute of Biological Sciences CAS Key Laboratory of Computational Biology CAS-MPG Partner Institute for Computational BiologyShanghai Institutes for Biological SciencesChinese Academy of Sciences
The exosome is a key RNA machine that functions in degradation of unwanted ***,ourRNA-seq and RT-PCR data indicate that in RNA processing-and exportcompetent human cells,significant fractions of precursors and mature ... 详细信息
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Leveraging generative AI for urban digital twins: a scoping review on the autonomous generation of urban data, scenarios, designs, and 3D city models for smart city advancement
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Urban Informatics 2024年 第1期3卷 1-44页
作者: Xu, Haowen Omitaomu, Femi Sabri, Soheil Zlatanova, Sisi Li, Xiao Song, Yongze Computational Urban Sciences Group Oak Ridge National Laboratory Oak Ridge USA Urban Digital Twin Lab School of Modeling Simulation and Training University of Central Florida Orlando USA The School of Built Environment UNSW Sydney Australia Transport Studies Unit University of Oxford Oxford UK School of Design and the Built Environment Curtin University Bentley Australia
The digital transformation of modern cities by integrating advanced information, communication, and computing technologies has marked the epoch of data-driven smart city applications for efficient and sustainable urba...
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i-PI 2.0: A universal force engine for advanced molecular simulations
arXiv
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arXiv 2018年
作者: Kapil, Venkat Rossi, Mariana Marsalek, Ondrej Petraglia, Riccardo Litman, Yair Spura, Thomas Cheng, Bingqing Cuzzocrea, Alice Meißner, Robert H. Wilkins, David M. Juda, Przemyslaw Bienvenue, Sébastien P. Fang, Wei Kessler, Jan Poltavsky, Igor Vandenbrande, Steven Wieme, Jelle Corminboeuf, Clemence Kühne, Thomas D. Manolopoulos, David E. Markland, Thomas E. Richardson, Jeremy O. Tkatchenko, Alexandre Tribello, Gareth A. van Speybroeck, Veronique Ceriotti, Michele Laboratory of Computational Science and Modeling Institute of Materials École Polytechnique Fédérale de Lausanne Lausanne1015 Switzerland Fritz Haber Institute of the Max Planck Society Theory Department Faradayweg 4-6 Berlin14195 Germany Physics and Materials Science Research Unit University of Luxembourg L-1511 Luxembourg Department of Chemistry Stanford University StanfordCA94305 United States Atomistic Simulation Centre School of Mathematics and Physics Queen’s University Belfast BelfastBT7 1NN United Kingdom Department of Chemistry and Center for Sustainable Systems Design University of Paderborn Warburger Str. 100 PaderbornD-33098 Germany Laboratory of Physical Chemistry ETH Zurich Zurich8093 Switzerland Center for Molecular Modeling Ghent University Zwijnaarde9052 Belgium Physical and Theoretical Chemistry Laboratory South Parks Road OxfordOX1 3QZ United Kingdom Laboratory for Computational Molecular Design Institute of Chemical Sciences and Engineering École Polytechnique Fédérale de Lausanne Lausanne1015 Switzerland Charles University Faculty of Mathematics and Physics Ke Karlovu 3 Prague 2121 16 Czech Republic
Progress in the atomic-scale modelling of matter over the past decade has been tremendous. This progress has been brought about by improvements in methods for evaluating interatomic forces that work by either solving ... 详细信息
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Wannier90 as a community code: New features and applications
arXiv
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arXiv 2019年
作者: Pizzi, Giovanni Vitale, Valerio Arita, Ryotaro Blugel, Stefan Freimuth, Frank Geranton, Guillaume Gibertini, Marco Gresch, Dominik Johnson, Charles Koretsune, Takashi Ibanez-Azpiroz, Julen Lee, Hyungjun Lihm, Jae-Mo Marchand, Daniel Marrazzo, Antimo Mokrousov, Yuriy Mustafa, Jamal I. Nohara, Yoshiro Nomura, Yusuke Paulatto, Lorenzo Ponce, Samuel Ponweiser, Thomas Qiao, Junfeng Thole, Florian Tsirkin, Stepan S. Wierzbowska, Malgorzata Marzari, Nicola Vanderbilt, David Souza, Ivo Mosto, Arash A. Yates, Jonathan R. Theory and Simulation of Materials National Centre for Computational Design and Discovery of Novel Materials Ecole Polytechnique Federale de Lausanne LausanneCH-1015 Cavendish Laboratory Department of Physics University of Cambridge CambridgeCB30HE Departments of Materials and Physics Thomas Young Centre for Theory and Simulation of Materials Imperial College London LondonSW72AZ RIKEN Center for Emergent Matter Science 2-1 Hirosawa Wako Saitama351-0198 Department of Applied Physics University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo113-8656 Peter Grunberg Institut Institute for Advanced Simulation JARA Julich52425 Department of Quantum Matter Physics University of Geneva Geneva ETH Zurich Zurich Departments of Materials and Physics Imperial College London LondonSW72AZ Department of Physics Tohoku University Sendai JST PRESTO Kawaguchi Saitama Centro de Fisica de Materiales Universidad Del Pais Vasco San SebastianE-20018 Institute of Physics Ecole Polytechnique Federale de Lausanne LausanneCH-1015 Korea Institute for Advanced Study Hoegiro 85 Seoul02455 Department of Physics Center for Theoretical Physics Seoul National University Seoul08826 Laboratory for Multiscale Mechanics Modeling Ecole Polytechnique Federale de Lausanne Lausanne Institute of Physics Jonannes-Gutenberg University of Mainz Mainz55099 Department of Physics University of California BerkeleyCA94720 United States ASMS Co. Ltd. 1-7-11 Higashi-Gotanda Shinagawa-ku Tokyo141-0022 Institut de Mineralogie de Physique des Materiaux et de Cosmochimie Sorbonne Universite CNRS Case 115 4 place Jussieu Paris Cedex75252 Department of Materials University of Oxford Parks Road OxfordOX13PH Research Institute for Symbolic Computation Johannes Kepler University Altenberger Strae 69 Linz4040 Fert Beijing Institute School of Microelectronics BDBC Beihang University Beijing Materials Theory ETH Zurich Wolfgang-Pauli-Strasse 27 ZurichCH-8093 Department of Physics University of Zurich
Wannier90 is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used electronicstructure codes thanks to its indep... 详细信息
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STABILITY ANALYSIS AND DISPLACEMENT MEASUREMENTS OF GRAVING DRYDOCK WALLS - COMMENT
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NAVAL ENGINEERS JOURNAL 1990年 第4期102卷 138-138页
作者: YACHNIS, M Dr. Arthur H. Wu:is a geotechnical engineering consultant in the Office of the Chief Engineer Naval Facilities Engineering Command Department of the Navy Alexandria Virginia. Dr. Wu received his B.S. and M.S. degrees from the National Cheng Kung University Taiwan in 1956 and 1961 respectively his M.S. degree from Ohio State University in 1964 and his D.Sc. degree from The George Washington University in 1981. He has taught at The George Washington University U.S. Naval Academy and is an adjunct full professor at the University of the District of Columbia. He was selected as the 1985 NavFac Engineer of the Year is a fellow of the American Society of Civil Engineers and is listed in MarquisWho's Who in America. He has provided many complex geotechnical consultation services to the Navy and contributed to the application of the numerical modeling and computational mechanics in the analysis of graving drydock safety. John Cecilio:is the chief engineer for the Naval Facilities Engineering Command Department of the Navy Alexandria Virginia. Mr. Cecilio received his B.S. degree in 1962 from Merrimack College Massachusetts and M.S. degree in 1971 from Catholic University of America in Washington D.C. As the chief engineer he is supervising twelve multi-discipline engineering consultants who are responsible for providing criteria guidance and technical assistance to resolve complex and unique design and construction problems. Mr. Cecilio is the chairman of the Certification Board for the U.S. Navy's dry-docks. He has over 27 years of experience in design and construction of complex facilities and was selected as the 1986 NavFac Engineer of the Year. He is a member of the Society of American Military Engineers and numerous professional engineering societies. Dr. Robert A. Bayles:is a research scientist at the Naval Research Laboratory (NRL) Washington D.C. He received his B.S. degree in chemistry and physics from Lynchburg College in 1973. He received his M.S. (1975) and Ph.D. (1979) degrees in mat
Maintenance and safety certification of the Navy's graving drydocks are essential in supporting fleet operation and readiness. Thus, structural analyses of graving drydocks are made regularly by the Naval Faciliti... 详细信息
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CEPC Technical design Report
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Radiation Detection Technology and Methods 2024年 第1期8卷 I0003-I0016,1-1091页
作者: Waleed Abdallah Tiago Carlos Adorno de Freitas Konstantin Afanaciev Shakeel Ahmad Ijaz Ahmed Xiaocong Ai Abid Aleem Wolfgang Altmannshofer Fabio Alves Weiming An Rui An Daniele Paolo Anderle Stefan Antusch Yasuo Arai Andrej Arbuzov Abdesslam Arhrib Mustafa Ashry Sha Bai Yu Bai Yang Bai Vipul Bairathi Csaba Balazs Philip Bambade Yong Ban Tripamo Bandyopadhyay Shou-Shan Bao Desmond P.Barber Ayse Bat Varvara Batozskaya Subash Chandra Behera Alexander Belyaev Michele Bertucci Xiao-Jun Bi Yuanjie Bi Tianjian Bian Fabrizio Bianchi Thomas Biekotter Michela Biglietti Shalva Bilanishvili Deng Binglin Denis Bodrov Anton Bogomyagkov Serge Bondarenko Stewart Boogert Maarten Boonekamp Marcello Borri Angelo Bosotti Vincent Boudry Mohammed Boukidi Igor Boyko Ivanka Bozovic Giuseppe Bozzi Jean-Claude Brient Anastasiia Budzinskaya Masroor Bukhari Vladimir Bytev Giacomo Cacciapaglia Hua Cai Wenyong Cai Wujun Cai Yijian Cai Yizhou Cai Yuchen Cai Haiying Cai Huacheng Cai Lorenzo Calibbi Junsong Cang Guofu Cao Jianshe Cao Antoine Chance Xuejun Chang Yue Chang Zhe Chang Xinyuan Chang Wei Chao Auttakit Chatrabhuti Yimin Che Yuzhi Che Bin Chen Danping Chen Fuqing Chen Fusan Chen Gang Chen Guoming Chen Hua-Xing Chen Huirun Chen Jinhui Chen Ji-Yuan Chen Kai Chen Mali Chen Mingjun Chen Mingshui Chen Ning Chen Shanhong Chen Shanzhen Chen Shao-Long Chen Shaomin Chen Shiqiang Chen Tianlu Chen Wei Chen Xiang Chen Xiaoyu Chen Xin Chen Xun Chen Xurong Chen Ye Chen Ying Chen Yukai Chen Zelin Chen Zilin Chen Gang Chen Boping Chen Chunhui Chen Hok Chuen Cheng Huajie Cheng Shan Cheng Tongguang Cheng Yunlong Chi Pietro Chimenti Wen Han Chiu Guk Cho Ming-Chung Chu Xiaotong Chu Ziliang Chu Guglielmo Coloretti Andreas Crivellin Hanhua Cui Xiaohao Cui Zhaoyuan Cui Brunella D'Anzi Ling-Yun Dai Xinchen Dai Xuwen Dai Antonio De Maria Nicola De Filippis Christophe De La Taille Francesca De Mori Chiara De Sio Elisa Del Core Shuangxue Deng Wei-Tian Deng Zhi Deng Ziyan Deng Bhupal Dev Tang Dewen Biagio Di Micco Ran Ding Siqin Dingl Yadong Ding Haiyi Dong Jianin AGH University of Science and Technology Faculty of Physics and Applied Computer ScienceKrakow Anhui University HefeiAnhui Applied Physics Department Federal Urdu University of ArtsScience and TechnologyIslamabad Banaras Hindu University Institute of ScienceVaranasi Bandirma Onyedi Eylul University Bandirma Beihang University Beijing Beijing Computational Science Research Center Beijing Beijing Conveyi LTD Beijing Beijing Glass Research Institute Co. LtdBeijing Beijing Institute of Technology Beijing Beijing Normal University Beijing Brown University ProvidenceRI Budker Institute of Nuclear Physics Novosibirsk Cadi Ayyad University Laboratory of Fundamental and Applied PhysicsPolydisciplinary FacultyMarrakech Cairo University Giza Center for Theory and Computation National Tsing Hua UniversityHsinchu Central China Normal University WuhanHubei Central South University ChangshaHunan Centro de Fisica Teorica de Particulas Universidade Tecnica de LisboaLisboa Chengdu KaitengSifang Digital Radio&TV Equipment Co. LtdChengduSichuan China academy of engineering physics MianyangSichuan China building materials academy Beijing China Center of Advanced Science and Technology Beijing China Institute of Atomic Energy Beijing China Jiliang University HangzhouZhejiang China Nuclear Instrument CO. LTDBeijing China University of Geosciences Beijing China University of Geosciences WuhanHubei China University of Mining and Technology XuzhouJiangsu China West Normal University NanchongSichuan Chongqing University Department of PhysicsChongqing Chulalongkorn University Bangkok City University of Hong Kong Department of PhysicsHong Kong Cockcroft Institute Daresbury Cornell University IthacaNY CPPM(AMU/IPhU&CNRS/INP) Marseille Dalian Minzu University DalianLiaoning Dalian University of Technology Department of PhysicsDalian Deutsches Elektronen-Synchrotron DESY Hamburg Dzhelepov Laboratory of Nuclear Problems of Joint Institute for Nuclear Research(DLNP JINR) Dubna East China University Of Science And Technol
The Circular Electron Positron Collider(CEPC)is a large scientific project initiated and hosted by China,fostered through extensive collaboration with international *** complex comprises four accelerators:a 30 GeV Lin... 详细信息
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Correction: CEPC Technical design Report: Accelerator
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Radiation Detection Technology and Methods 2024年 第1期9卷 184-192页
作者: Abdallah, Waleed de Freitas, Tiago CarlosAdorno Afanaciev, Konstantin Ahmad, Shakeel Ahmed, Ijaz Ai, Xiaocong Aleem, Abid Altmannshofer, Wolfgang Alves, Fabio An, Weiming An, Rui Anderle, Daniele Paolo Antusch, Stefan Arai, Yasuo Arbuzov, Andrej Arhrib, Abdesslam Ashry, Mustafa Bai, Sha Bai, Yu Bai, Yang Bairathi, Vipul Balazs, Csaba Bambade, Philip Ban, Yong Bandyopadhyay, Triparno Bao, Shou-Shan Barber, Desmond P. Bat, Ays¸e Batozskaya, Varvara Behera, Subash Chandra Belyaev, Alexander Bertucci, Michele Bi, Xiao-Jun Bi, Yuanjie Bian, Tianjian Bianchi, Fabrizio Bieko¨tter, Thomas Biglietti, Michela Bilanishvili, Shalva Binglin, Deng Bodrov, Denis Bogomyagkov, Anton Bondarenko, Serge Boogert, Stewart Boonekamp, Maarten Borri, Marcello Bosotti, Angelo Boudry, Vincent Boukidi, Mohammed Boyko, Igor Bozovic, Ivanka Bozzi, Giuseppe Brient, Jean-Claude Budzinskaya, Anastasiia Bukhari, Masroor Bytev, Vladimir Cacciapaglia, Giacomo Cai, Hua Cai, Wenyong Cai, Wujun Cai, Yijian Cai, Yizhou Cai, Yuchen Cai, Haiying Cai, Huacheng Calibbi, Lorenzo Cang, Junsong Cao, Guofu Cao, Jianshe Chance, Antoine Chang, Xuejun Chang, Yue Chang, Zhe Chang, Xinyuan Chao, Wei Chatrabhuti, Auttakit Che, Yimin Che, Yuzhi Chen, Bin Chen, Danping Chen, Fuqing Chen, Fusan Chen, Gang Chen, Guoming Chen, Hua-Xing Chen, Huirun Chen, Jinhui Chen, Ji-Yuan Chen, Kai Chen, Mali Chen, Mingjun Chen, Mingshui Chen, Ning Chen, Shanhong Chen, Shanzhen Chen, Shao-Long Chen, Shaomin Chen, Shiqiang Chen, Tianlu Chen, Wei Chen, Xiang Chen, Xiaoyu Chen, Xin Chen, Xun Chen, Xurong Chen, Ye Chen, Ying Chen, Yukai Chen, Zelin Chen, Zilin Chen, Boping Chen, Chunhui Cheng, Hok Chuen Cheng, Huajie Cheng, Shan Cheng, Tongguang Chi, Yunlong Chimenti, Pietro Chiu, Wen Han Cho, Guk Chu, Ming-Chung Chu, Xiaotong Chu, Ziliang Coloretti, Guglielmo Crivellin, Andreas Cui, Hanhua Cui, Xiaohao Cui, Zhaoyuan D’Anzi, Brunella Dai, Ling-Yun Dai, Xinchen Dai, Xuwen De Maria, Antonio De Filippis, Nicola De La Taille, Christophe De Mori, Francesca De Sio, Chiara Del Core, Elisa Deng, Cairo University Giza Egypt Xi’an Jiaotong-Liverpool University Suzhou China Institute of Power Engineering of National Academy of Sciences of Belarus Minsk Belarus Pakistan Institute of Nuclear Science and Technology (PINSTECH) Islamabad Pakistan Applied Physics Department Science and Technology Federal Urdu University of Arts Islamabad Pakistan Zhengzhou University Zhengzhou China Institute of High Energy Physics Chinese Academy of Sciences Beijing China University of California Santa Cruz Santa Cruz USA Nanjing University Nanjing China Beijing Normal University Beijing China Harvard University Cambridge USA South China Normal University Guangzhou China University of Basel Basel Switzerland High Energy Accelerator Research Organization (KEK) Tsukuba Japan Joint Institute for Nuclear Research Dubna Russia Faculty of Sciences and Techniques Université Abdelmalek Essaadi Tangier Morocco Southeast University Nanjing China Department of Physics University of Wisconsin–Madison Madison USA Instituto de Alta Investigación Universidad de Tarapacá Arica Chile Monash University Melbourne Australia Laboratoire de Physique des 2 infinis Irène Joliot-Curie – IJCLab Orsay France Peking University Beijing China Department of Physics and Nanotechnology SRM Institute of Science and Technology Kattankulathur India Shandong University Jinan China University of New Mexico Albuquerque USA Bandirma Onyedi Eylul University Bandırma Turkey National Centre for Nuclear Research Warsaw Poland Indian Institute of Technology Madras (IN) Chennai India University of Southampton Southampton UK INFN Milano - LASA Segrate Italy Sun Yat-Sen University Guangzhou China China Institute of Atomic Energy Beijing China INFN-University of Torino Turin Italy Karlsruhe Institute of Technology Institute for Theoretical Physics Karlsruhe Germany INFN-Sezione di Roma Tre Rome Italy Kutaisi International University Kutaisi Georgia Soochow University Suzhou China Budker Institute
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