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Rapidity distributions in exclusive Z+jet and γ+jet events in pp collisions at s=7 TeV

physical Review D 2013年第11期88卷 112009-112009页

作者： S. Chatrchyan V. Khachatryan A. M. Sirunyan A. Tumasyan W. Adam T. Bergauer M. Dragicevic J. Erö C. Fabjan M. Friedl R. Frühwirth V. M. Ghete N. Hörmann J. Hrubec M. Jeitler W. Kiesenhofer V. Knünz M. Krammer I. Krätschmer D. Liko I. Mikulec D. Rabady B. Rahbaran C. Rohringer H. Rohringer R. Schöfbeck J. Strauss A. Taurok W. Treberer-Treberspurg W. Waltenberger C.-E. Wulz V. Mossolov N. Shumeiko J. Suarez Gonzalez S. Alderweireldt M. Bansal S. Bansal T. Cornelis E. A. De Wolf X. Janssen A. Knutsson S. Luyckx L. Mucibello S. Ochesanu B. Roland R. Rougny Z. Staykova H. Van Haevermaet P. Van Mechelen N. Van Remortel A. Van Spilbeeck F. Blekman S. Blyweert J. D’Hondt A. Kalogeropoulos J. Keaveney M. Maes A. Olbrechts S. Tavernier W. Van Doninck P. Van Mulders G. P. Van Onsem I. Villella C. Caillol B. Clerbaux G. De Lentdecker L. Favart A. P. R. Gay T. Hreus A. Léonard P. E. Marage A. Mohammadi L. Perniè T. Reis T. Seva L. Thomas C. Vander Velde P. Vanlaer J. Wang V. Adler K. Beernaert L. Benucci A. Cimmino S. Costantini S. Dildick G. Garcia B. Klein J. Lellouch A. Marinov J. Mccartin A. A. Ocampo Rios D. Ryckbosch M. Sigamani N. Strobbe F. Thyssen M. Tytgat S. Walsh E. Yazgan N. Zaganidis S. Basegmez C. Beluffi G. Bruno R. Castello A. Caudron L. Ceard C. Delaere T. du Pree D. Favart L. Forthomme A. Giammanco J. Hollar P. Jez V. Lemaitre J. Liao O. Militaru C. Nuttens D. Pagano A. Pin K. Piotrzkowski A. Popov M. Selvaggi J. M. Vizan Garcia N. Beliy T. Caebergs E. Daubie G. H. Hammad G. A. Alves M. Correa Martins Junior T. Martins M. E. Pol M. H. G. Souza W. L. Aldá Júnior W. Carvalho J. Chinellato A. Custódio E. M. Da Costa D. De Jesus Damiao C. De Oliveira Martins S. Fonseca De Souza H. Malbouisson M. Malek D. Matos Figueiredo L. Mundim H. Nogima W. L. Prado Da Silva A. Santoro A. Sznajder E. J. Tonelli Manganote A. Vilela Pereira C. A. Bernardes F. A. Dias T. R. Fernandez PerezTomei E. M. Gregores C. Lagana P. G. Mercadante S. F. Novaes Sandra S. Padula V. Genchev P. Iaydjiev S. Piperov M. Rodozov G. Sultanov M. Vut Yerevan Physics Institute Yerevan Armenia Institut für Hochenergiephysik der OeAW Wien Austria National Centre for Particle and High Energy Physics Minsk Belarus Universiteit Antwerpen Antwerpen Belgium Vrije Universiteit Brussel Brussel Belgium Université Libre de Bruxelles Bruxelles Belgium Institute of High Energy Physics Beijing China Ghent University Ghent Belgium Université Catholique de Louvain Louvain-la-Neuve Belgium Université de Mons Mons Belgium Centro Brasileiro de Pesquisas Fisicas Rio de Janeiro Brazil Universidade do Estado do Rio de Janeiro Rio de Janeiro Brazil Universidade Federal do ABC São Paulo Brazil Universidade Estadual Paulista São Paulo Brazil Institute for Nuclear Research and Nuclear Energy Sofia Bulgaria University of Sofia Sofia Bulgaria State Key Laboratory of Nuclear Physics and Technology Peking University Beijing China Rice University Houston Texas USA Vanderbilt University Nashville Tennessee USA Universidad de Los Andes Bogota Colombia Technical University of Split Split Croatia University of Split Split Croatia Institute Rudjer Boskovic Zagreb Croatia University of Cyprus Nicosia Cyprus Charles University Prague Czech Republic Academy of Scientific Research and Technology of the Arab Republic of Egypt Egyptian Network of High Energy Physics Cairo Egypt National Institute of Chemical Physics and Biophysics Tallinn Estonia Department of Physics University of Helsinki Helsinki Finland Helsinki Institute of Physics Helsinki Finland Lappeenranta University of Technology Lappeenranta Finland DSM/IRFU CEA/Saclay Gif-sur-Yvette France Laboratoire Leprince-Ringuet Ecole Polytechnique IN2P3-CNRS Palaiseau France Institut Pluridisciplinaire Hubert Curien Université de Strasbourg Université de Haute Alsace Mulhouse CNRS/IN2P3 Strasbourg France Centre de Calcul de l’Institut National de Physique Nucleaire et de Physique des Particules CNRS/IN2P3 Villeurbanne France Université de Lyon Université Claude Bernard

Rapidity distributions are presented for events containing either a Z boson or a photon with a single jet in proton-proton collisions produced at the CERN LHC. The data, collected with the CMS detector at s=7 TeV, correspond to an integrated luminosity of 5.0 fb−1. The individual rapidity distributions of the boson and the jet are consistent within 5% with expectations from perturbative QCD. However, QCD predictions for the sum and the difference in rapidities of the two final-state objects show discrepancies with CMS data. In particular, next-to-leading-order QCD calculations, and two common Monte Carlo event generators using different methods to match matrix-element partons with parton showers, appear inconsistent with the data as well as with each other.

关键词： COLLISIONS (Nuclear physics) PROTON-proton interactions DISTRIBUTION (Probability theory) LUMINOSITY QUANTUM chromodynamics

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MDMap: A system for data-driven layout and exploration of molecular dynamics simulations

MDMap: A system for data-driven layout and exploration of mo...

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IEEE Symposium on Biological Data Visualization (BioVis)

作者： Robert Patro Cheuk Yiu Ip Sujal Bista D. Thirumalai Samuel S. Cho Amitabh Varshney Department of Computer Science Institute of Advanced Computer Studies University of Maryland College Park USA Departments of Physics and Computer Science Wake Forest University USA Biophysics Program Institute of Physical Sciences and Technology University of Maryland College Park USA

Contemporary molecular dynamics simulations result in a glut of simulation data, making analysis and discovery a difficult and burdensome task. We present MDMap, a system designed to summarize long-running molecular dynamics (MD) simulations. We represent a molecular dynamics simulation as a state transition graph over a set of intermediate (stable and semi-stable) states. The transitions amongst the states together with their frequencies represent the flow of a biomolecule through the trajectory space. MDMap automatically determines potential intermediate conformations and the transitions amongst them by analyzing the conformational space explored by the MD simulation. MDMap is an automated system to visualize MD simulations as state-transition diagrams, and can replace the current tedious manual layouts of biomolecular folding landscapes with an automated tool. The layout of the representative states and the corresponding transitions among them is presented to the user as a visual synopsis of the long-running MD simulation. We compare and contrast multiple presentations of the state transition diagrams, such as conformational embedding, and spectral, hierarchical, and force-directed graph layouts. We believe this system could provide a road-map for the visualization of other stochastic time-varying simulations in a variety of different domains.

关键词： Layout Visualization Biological system modeling Computational modeling Proteins Data visualization Trajectory

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Modeling Maxwell’s demon with a microcanonical Szilard engine

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physical Review E 2011年第6期83卷 061120-061120页

作者： Suriyanarayanan Vaikuntanathan Christopher Jarzynski Chemical Physics Program Institute for Physical Science and Technology University of Maryland College Park Maryland 20742 USA Department of Chemistry and Biochemistry University of Maryland College Park Maryland 20742 USA

Following recent work by Marathe and Parrondo [Phys. Rev. Lett. 104, 245704 (2010)], we construct a classical Hamiltonian system whose energy is reduced during the adiabatic cycling of external parameters when initial conditions are sampled microcanonically. Combining our system with a device that measures its energy, we propose a cyclic procedure during which energy is extracted from a heat bath and converted to work, in apparent violation of the second law of thermodynamics. This paradox is resolved by deriving an explicit relationship between the average work delivered during one cycle of operation and the average information gained when measuring the system’s energy.

关键词： MAXWELL'S demon HAMILTONIAN systems THERMODYNAMICS HEATING -- Law & legislation ADIABATIC flow

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Copernicus: A new paradigm for parallel adaptive molecular dynamics

Copernicus: A new paradigm for parallel adaptive molecular d...

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2011 International Conference for High Performance Computing, Networking, Storage and Analysis, SC11

作者： Pronk, Sander Larsson, Per Pouya, Iman Bowman, Gregory R. Haque, Imran S. Beauchamp, Kyle Hess, Berk Pande, Vijay S. Kasson, Peter M. Lindahl, Erik Dept. of Theoretical Physics Royal Institute of Technology Stockholm Sweden Dept. of Molecular Physiology and Biological Physics University of Virginia Charlottesville VA United States Dept. of Chemistry Stanford University Stanford CA United States Dept. of Computer Science Stanford University Stanford CA United States Biophysics Program Stanford University Stanford CA United States Dept. of Theoretical Physics and Swedish E-Science Research Center Royal Institute of Technology Stockholm Sweden

ISBN: (纸本)9781450307710

Biomolecular simulation is a core application on supercomputers, but it is exceptionally difficult to achieve the strong scaling necessary to reach biologically relevant timescales. Here, we present a new paradigm for parallel adaptive molecular dynamics and a publicly available implementation: Copernicus. This framework combines performance-leading molecular dynamics parallelized on three levels (SIMD, threads, and message-passing) with kinetic clustering, statistical model building and real-time result monitoring. Copernicus enables execution as single parallel jobs with automatic resource allocation. Even for a small protein such as villin (9,864 atoms), Copernicus exhibits near-linear strong scaling from 1 to 5,376 AMD cores. Starting from extended chains we observe structures 0.6 Å from the native state within 30h, and achieve sufficient sampling to predict the native state without a priori knowledge after 80-90h. To match Copernicus'efficiency, a classical simulation would have to exceed 50 microseconds per day, currently infeasible even with custom hardware designed for simulations. Copyright 2011 ACM.

关键词： Molecular dynamics

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Multifunctional Hyper-Structured Molecules

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MRS Online Proceedings Library (OPL) 2011年第1期488卷 255-255页

作者： T. Wada Y. Zhang T. Aoyama Y. Kubo H. Sasabe Core Research for Evolutional Science and Technology (CREST) Frontier Research Program The Institute of Physical and Chemical Research (RIKEN) JST Wako Saitama 351-0198 Japan tatsuow@postman.riken.go.jp Dept. of Applied Chemistry Saitama University Urawa Saitama 338 Japan

To fill the gap between molecular design and the architecture of three-dimensional functional structures, we propose novel hyper-structured molecules (HSMs) based on welldefined and topologically controlled molecular systems. To this end we have developed carbazole dendrimers, trimers, cyclic oligomers and chromogenic calix[4]arenes as HSMs. Photorefractivity was selected as the primary target function of these HSMs. Oligomers developed in our laboratory exhibit intrinsic photocarrier generation, transport, electro-optic, film-forming and poling properties. These multifunctional properties allow us to demonstrate optical image processing using optical phase conjugation. The topological shapes of indoaniline-derived calix[4]arenes were studied by hyper-Rayleigh scattering. The two indoaniline moieties in calix[4]arene derivatives were pre-aligned so as to enhance the net molecular hyperpolarizability. Besides dendric oligomers, cyclic oligomers can be used as a molecular platform which allows molecular level tuning of shape, size and topology for superior opto-electronic functions.

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Abstracts Of Shellfish Technical Papers Presented at the joint meeting of the Northeast Aquaculture Conference and Exposition Milford Aquaculture Seminar and the International Conference on Shellfish Restoration Groton, Connecticut December 12–15, 2012

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Journal of Shellfish Research 2013年第2期32卷 571-612页

作者： Walter Blogoslawski Christopher Davis Dorothy Leonard Lisa Milke Steven Allen Peter Bergstrom A.C. Carpenter Mark Luckenbach Kennedy Paynter Angela Sowers Eric Weissberger James Wesson Stephanie Westby Steven Allen Stephanie Westby Claire O'Neil Angela Sowers Eric Weisberrger Oliver Bender Peter Boyce Gabriel Betty Mark Borrelli Anamarija Frankic Curtis Felix Jennifer Wilson Peter Boyce Oliver Bender Suzanne Bricker Tessa Getchis Cary Chadwick Julie Rose Cori Rose Kelsey Brockett Jessica Peterman David Bushek Daphne Munroe Eric Powell Lisa Calvo Barney Hollinger William Riggin William Shadel Jenny Paterno Ryan Carnegie David Bushek Carole Cyr Lisandre G. Solomon Francoise Bourque Tyler Carrier Stephen Eddy Sarah Redmond James Cervino Rand Weeks Jason Shorr Carmen Lin Dajana Gjoza Thomas J. Goreau Erik Chapman Derrick Chelikowsky Diane Kapareiko Dorothy Jefferess Gary Wikfors Carmela Cuomo Joseph Choromanski Sheila Stiles Dorothy Jeffress Haley Ladeau Loren Coen Boze Hancock Lesley Baggett Sean Powers Rob Brumbaugh Summer Morlock Bryan DeAngelis Anne Cohen Daniel McCorkle Gail Schwietermann Kathryn Rose Dave Conley SaiGiridhar Dasika April Croxton Soren Dahl Debra Barnes Bassem Allam Jonathan Davis Brian Allen Betsy Peabody Jonathan Davis Julie Davis William Walton Donatella Del Piero Michael Devin Molly Flanagan Paul Rawson Chauncey Devin Dana Morse Mark S. Dixon Genevieve Bernatchez Kelsey Boeff Eve Galimany Yaqin Li Aynur Lok Shannon L. Meseck Marguerite Petit Sean Dixon Sam Lee Dennis O'Connor Kelly Drake Shelley Edmundson Elizabeth Fairchild Melissa Evans Allison Fitzgerald Chester Zarnoch William Wallace Amy Fitzpatrick Gef Flimlin Sandra Macfarlane Gef Flimlin Thomas Foca David Bushek Timothy Visel Walter Blogoslawski Deborah A. Bouchard Joseph Buttner John Ewart Ann Faulds George E. Flimlin Doris Hicks Craig Hollingsworth Andrew Lazur Dale Leavitt Dennis McIntosh Dana L. Morse Tom Rippen Gregg Rivara Roxanna Smolowitz Dan Terlizzi Don Webster Michael Chambers Diane C. Murphy Robert Pomeroy Josh Reitsma Mic U.S. Department of Commerce National Oceanic and Atmospheric Administration National Marine Fisheries Service Northeast Fisheries Science Center Milford Laboratory 212 Rogers Avenue Milford CT 06460 Maine Aquaculture Innovation Center 5717 Corbett Hall Room 436 Orono ME 04469 Ocean Equities LLC 776 Rolling View Drive Annapolis MD 21409. Oyster Recovery Partnership 1805A Virginia St Annapolis MD 21401 NOAA Chesapeake Bay Office 410 Severn Ave Suite 207-A Annapolis MD 21403 Potomac River Fisheries Commission 222 Taylor St Colonial Beach VA 22443 Virginia Institute of Marine Science Eastern Shore Laboratory PO Box 350 Wachapreague VA 23480 1213 HJ Patterson Hall University of Maryland College Park MD 20742 U. S. Army Corps of Engineers Baltimore District P.O. Box 1715 Baltimore MD 21203 Maryland Department of Natural Resources 580 Taylor Ave Annapolis MD 21401 Virginia Marine Resources Commission 2600 Washington Ave Newport News VA 23607 NOAA Restoration Center 410 Severn Ave Annapolis MD 21403. Oyster Recovery Partnership 1805A Virginia St Annpolis MD 21401 National Oceanographic and Atmospheric Administration 410 Severn Ave Suite 107-A Annapolis MD 21403 USA Army Corps of Engineers 10 South Howard St Baltimore MD 21201 Maryland Department of Natural Resources 580 Taylor Ave Tawes State Office Building Annapolis MD 21401. Maria Mitchell Association 4 Vestal St Nantucket MA 02554 Maria Mitchell Association 65 Meadowview Drive Nantucket MA 02554. University of Rhode Island 620 Main St. Hopkinton RI 02832. Provincetown Center for Coastal Studies 5 Holway Avenue Provincetown MA 02657 University of Massachusetts Boston 100 Morrissey Blvd Boston Massachusetts Boston MA Town of Wellfleet 300 Main Street Wellfleet Massachusetts MA 02667. Maria Mitchell Association 65 Meadowview Dr Nantucket MA 02554. NOAA National Center for Coastal Ocean Science 1305 East West Highway Room 8110 Silver Spring MD 20910 Connecticut Sea Grant University o

It was with great excitement that we planned the combined meetings of Northeast Aquaculture Conference and Exposition (NACE) and the International Conference on Shellfish Restoration (ICSR) with the 33rd Milford Aquaculture Seminar (MAS). Bringing these different but complementary audiences together resulted in a meeting that combined many different aspects of fisheries restoration and aquaculture under one *** hundred attendees including government representatives, research scientists, industry, and academia at both the university and vocational high school levels attended this event. The meeting commenced on Wednesday December 12th 2012, with over eighty people attending seven field trips to area aquaculture farms and research facilities. The formal program began on Thursday, December 13th with a plenary session including invited speakers Eric Schwabb, Acting Assistant Secretary for Conservation and Management at NOAA; Sebastian Belle, Executive Director of the Maine Aquaculture Association and Boze Hancock from the Nature Conservancy, who discussed the role of aquaculture in fisheries restoration. John Bullard, the Northeast Regional Administrator of NOAA Fisheries Service, addressed the group during the luncheon the following day. The technical papers and workshops presented were divided into 35 sessions over three days of the meeting and included topics such as the history of aquaculture, aquaculture hatchery innovations, siting and planning issues, risk management, aquaculture business management, ocean acidification, climate change, as well as aquaculture disease issues and potential remedies. Having persons present who have experienced problems and successes, along with those in manufacturing and government responsible for addressing concerns and sharing best practices, was invaluable. Discussions among this cross-section of persons who represent different aspects of aquaculture were as important as the well-presented and interesting formal papers

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Copernicus: A new paradigm for parallel adaptive molecular dynamics

Copernicus: A new paradigm for parallel adaptive molecular d...

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Supercomputing Conference

作者： Sander Pronk Gregory R. Bowman Berk Hess Per Larsson Imran S. Haque Vijay S. Pande Iman Pouya Kyle Beauchamp Peter M. Kasson Erik Lindahl Department of Theoretical Physics Royal Institute of Technology Stockholm Sweden Department of Molecular Physiology and Biological Physics University of Virginia Charlottesville VA USA Department of Chemistry University of Stanford Stanford CA USA Department of Computer Science University of Stanford Stanford CA USA Biophysics Program University of Stanford Stanford CA USA Department of Theoretical Physics & Swedish e-Science Research Center Royal Institute of Technology Stockholm Sweden

Biomolecular simulation is a core application on supercomputers, but it is exceptionally difficult to achieve the strong scaling necessary to reach biologically relevant timescales. Here, we present a new paradigm for parallel adaptive molecular dynamics and a publicly available implementation: Copernicus. This framework combines performance-leading molecular dynamics parallelized on three levels (SIMD, threads, and message-passing) with kinetic clustering, statistical model building and real-time result monitoring. Copernicus enables execution as single parallel jobs with automatic resource allocation. Even for a small protein such as villin (9,864 atoms), Copernicus exhibits near-linear strong scaling from 1 to 5,376 AMD cores. Starting from extended chains we observe structures 0.6 A from the native state within 30h, and achieve sufficient sampling to predict the native state without a priori knowledge after 80-90h. To match Copernicus' efficiency, a classical simulation would have to exceed 50 microseconds per day, currently infeasible even with custom hardware designed for simulations.

关键词： Servers Computational modeling Adaptation models Biological system modeling Computer architecture Markov processes Proteins

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Inside Back Cover: In Vitro and In Vivo Uncaging and Bioluminescence Imaging by Using Photocaged Upconversion Nanoparticles (Angew. Chem. Int. Ed. 13/2012)

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Angewandte Chemie International Edition 2012年第13期51卷

作者： Yanmei Yang Qing Shao Renren Deng Chao Wang Xue Teng Kai Cheng Prof. Zhen Cheng Prof. Ling Huang Prof. Zhuang Liu Prof. Xiaogang Liu Prof. Bengang Xing Division of Chemistry and Biological Chemistry School of Physical & Mathematical Sciences Nanyang Technological University Singapore 637371 (Singapore) Department of Chemistry National University of Singapore 3 Science Drive 3 Singapore 117543 (Singapore) Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices Institute of Functional Nano & Soft Materials Soochow University (P. R. China) Division of Biomedical Engineering School of Chemical and Biomedical Engineering Nanyang Technological University (Singapore) Molecular Imaging Program at Stanford (MIPS) Department of Radiology Stanford University Medical Center (USA) Institute of Materials Research and Engineering Agency for Science Technology and Research (A*STAR) 3 Research Link Singapore 117602 (Singapore) Xiaogang Liu Department of Chemistry National University of Singapore 3 Science Drive 3 Singapore 117543 (Singapore) Bengang Xing Division of Chemistry and Biological Chemistry School of Physical & Mathematical Sciences Nanyang Technological University Singapore 637371 (Singapore)

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Innenrücktitelbild: In Vitro and In Vivo Uncaging and Bioluminescence Imaging by Using Photocaged Upconversion Nanoparticles (Angew. Chem. 13/2012)

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Angewandte Chemie 2012年第13期124卷

作者： Yanmei Yang Qing Shao Renren Deng Chao Wang Xue Teng Kai Cheng Zhen Cheng Ling Huang Zhuang Liu Xiaogang Liu Bengang Xing Division of Chemistry and Biological Chemistry School of Physical & Mathematical Sciences Nanyang Technological University Singapore 637371 (Singapore) Department of Chemistry National University of Singapore 3 Science Drive 3 Singapore 117543 (Singapore) Jiangsu Key Laboratory for Carbon‐Based Functional Materials & Devices Institute of Functional Nano & Soft Materials Soochow University (P. R. China) Division of Biomedical Engineering School of Chemical and Biomedical Engineering Nanyang Technological University (Singapore) Molecular Imaging Program at Stanford (MIPS) Department of Radiology Stanford University Medical Center (USA) Institute of Materials Research and Engineering Agency for Science Technology and Research (A*STAR) 3 Research Link Singapore 117602 (Singapore)

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In Vitro and In Vivo Uncaging and Bioluminescence Imaging by Using Photocaged Upconversion Nanoparticles†

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Angewandte Chemie 2012年第13期124卷

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