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    Archived pages: 26 . Archive date: 2014-07.

  • Title: TACC-2012 Home
    Descriptive info: .. Home.. Committees.. Index.. The Place.. Sponsors.. TACC-2016.. TACC 2012.. TACC-2012, the third conference of the series Theory and Applications of Computational Chemistry, sponsored by the University of Pavia, Italy, and chaired by Prof.. Enrico Clementi, was held in Pavia from 2 to 7 September, 2012.. The conference is intended to convene a world-class group of scientists to discuss their forefront research with computer simulations on a broad range of  ...   Leading researchers in the computer industry presented future trends in computer architecture; the congress included as a special event the "K computer day".. The lectures took place at the main site of the University of Pavia.. The forth conference TACC-2016 will be held in July 2016 in the West Coast of the United States of America (details will be announced).. NEWS.. Copyright (c) 2010, www.. tacc2012.. org.. All rights reserved..

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  • Title: Committees
    Descriptive info: Comitato T.. A.. C.. Enrico Clementi, President.. Giorgina Corongiu, Secretary.. Chiara Margheritis, Member.. Executive Committee.. Chairperson:.. Enrico Clementi (International Academy Quantum Molecular Sciences).. Secretary:.. Giorgina Corongiu (U.. Insubria, Como, Italy).. Vice-Chairpersons:.. Kwang S.. Kim (Poh-ang U.. Sci.. Tech.. , Korea), TACC-2004 Organizer.. Dongqing Wei (U.. Jiao Tong, Shanghai, China), TACC-2008 Organizer.. Honorary Committee.. Yuan  ...   (University of Strasbourg, France).. Dudley R.. Herschbach, Nobel 1986 (Harvard University, Cambridge, MA, USA).. Harold Kroto, Nobel 1996 (Florida State University, Tallahassee, FL, USA).. Local Scientific Committee.. Antonio Torroni (U.. Pavia, Italy).. Lucio Claudio Andreani (U.. Riccardo Bellazzi (U.. Giacomo Mauro D'Ariano (U.. Elena Giulotto (U.. Giorgio Guizzetti (U.. Pavia, Italy).. TACC 2012 Site..

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  • Title: TACC-2012 Index
    Descriptive info: Research Topics.. Session Organizers and Chairpersons.. Invited Speakers: Abstracts.. Oral Contributions: Abstracts.. Poster Presentations: Abstracts.. Conference Proceedings by the American Institute of Physics: AIP CP 1456 (2012).. Conference Program..

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  • Title: TACC-2012 Place
    Descriptive info: The Place.. On the bank of the river Ticino, before it merges with the Po river, lies Pavia, a small and ancient university town, 40 km south of Milan (and its airports, Malpensa and Linate, and the low-cost Orio al Serio in nearby Bergamo).. The Roman name of the city was Ticinum; it was changed to Papia after being conquered by the Longbards in 572 and in the late 800s it was annexed by Charles the Great and became part of the Holy Roman Empire until the fourteenth century, when it became part of the dukedom of the Visconti family of Milan.. The University (Alma Ticinensis Universitas with about 25000 students) is near the town centre, a few minutes walk from the Visconti Castle.. The numbers 1 to 5 of the University map ( see the first inset in the figures below ) indicate the entrance to a small car parking, the parking area, the location of two main conference rooms, the main entrance of the University and the New Aula Magna ( see also the maps given in "Maps of Pavia and its Environs" ).. Map of the University.. Castello Sforzesco.. University of Pavia.. By 825, Pavia was the site of an important School of Rhetoric, established by the Frankish king of Italy Lothar I (ruled 818-855) which evolved from a School of Civil Law established by the Roman Emperor Theodosius I.. During the middle age the University of Pavia was well-known all over Europe.. In 1361 the Holy Roman emperor Charles IV (ruled 1355-1378) upgraded the School of Rhetoric to the level of Studium Generale; later Pope Boniface IX granted to the new institution the same rights previously given to the University of Bologna and to the Sorbonne in Paris.. The institution was enlarged and renovated by the Duke of Milan, Gian Galeazzo Visconti (ruled 1385-1402).. The University of Pavia lost status in the sixteen century, owing  ...   founded by Pope Pius V in 1567 and by Cardinal Borromeo in 1576, respectively.. Collegio Cairoli.. Aula Foscolo.. New Aula Magna.. The Collegio Germanico-Ungarico founded in 1781 by Joseph II, emperor of Austria, reopened in 1948 as Collegio Cairoli.. The new Aula Magna constructed in the nineteenth century replaces a previous Aula Magna constructed by order of the Empress Maria Teresa of Austria and known today as Aula Foscolo.. Below, you see the aula Scarpa, the old anatomy classroom, the aula Volta, where Alessandro Volta would give his classes for the students and public, and the Cortile delle Magnolie.. Aula Scarpa.. Aula Volta.. Cortile delle Magnolie.. New Colleges have been added more recently like the Collegio Fraccaro, the Collegio Nuovo, and the Santa Caterina College.. In 1997, the IUSS (Istituto Universitario di Studi Superiori) was established to link the Colleges of Pavia.. In more recent times other colleges were founded through both public and private initiatives.. Presently, the University of Pavia counts the following Colleges: Almo Collegio Borromeo, Collegio Ghislieri, Collegio Nuovo - Fondazione Sandra e Enea Mattei, Collegio Universitario S.. Caterina da Siena, Collegio Cardano, Collegio Castiglioni, Collegio Fraccaro, Collegio Cairoli, Collegio Griziotti, Collegio Spallanzani, Collegio Valla, Collegio Volta, Collegio del Maino, Collegio Golgi.. All college rooms have internet connexion and individual bathroom facilities.. In addition, colleges have rooms for reading, TV, computers with internet connection, library, reception service and, in a few cases, fitness room.. San Michele.. Ponte Coperto.. Certosa di Pavia.. The ancient basilica of San Michele (where Charles the Great and Federico Barbarossa were crowned Emperors of the Holy Roman Empire) reconstructed after a fire in 1004, the Castello Sforzesco, a fortress-mansion erected by the Visconti family of Milan, the magnificent Certosa monastery erected by Galeazzo Visconti in 1396, and the Ponte Coperto on the River Ticino are just some of the many interesting sites to be visited while in Pavia.. TACC 2012 Site Menu..

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  • Title: TACC-2012 Sponsors
    Descriptive info: Sponsors and Supporters.. The TACC-2012 is an international forum for scientists engaged in atomic, molecular, solid state and condensed matter, bio-molecular, and bio-medical research, stressing theory, computational methods and applications.. The Congress has been financed by the registration fees and from sponsorship from the University of Pavia, RIKEN AICS, Fujitsu, Comitato TACC, and the ACS journals Journal of Physical Chemistry and Journal of Chemical Theory and Computation..

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  • Title: TACC-2016
    Descriptive info: Tacc-2016.. TACC-2016.. The next TACC international congress, TACC-2016, will be held in 2016 in the United States of America in the West Coast, likely in July.. Presently, we are working at selecting a site and a chairperson.. Tentatively, we plan to follow the blue lines of TACC-2012.. We plan to correct some of the shortcomings, like to have more than 250 participants, particularly from highly populated countries, be more international (only 39 countries were present in TACC-2012), to attract in average more young people and to increase the ratio women/men.. The interdisciplinary character of the congress will be kept and stressed.. TACC-2016 is intended to be an international conference.. for traditional computational chemistry, theories and applications.. for newly emerging trends in computational chemistry.. for research, particularly in computational chemistry, from centers with super-computer type facilities.. for computations from areas different from computational chemistry but utilizing algorithms used also in computational chemistry.. for exhibition of new electronic computers (from small to supercomputers).. for reports from computational chemistry software centers and vendors.. Presently, an embryonic "organizing committee", composed mainly by TACC-2012 participants, includes: Rodney Bartlett (U.. of Florida, USA), Vlasta Bonačić-Koutecký (Humboldt U.. , Germany), Jean-Luc Brédas (Georgia  ...   China), Kwang S.. , Korea), Williams Lester, Jr (U.. California, USA), Wenjiam Liu (U.. Peking, China), Steve Louie (U.. Berkeley, USA), Nancy Macri (U.. Illinois, USA), Anne B.. McCoy (Ohio State U.. , USA), Debashis Mukerjee (IACS.. Res.. , India), Marco Antonio Nascimento (U.. Federal do Rio de Janeiro, Brazil), Antonio Rizzo (CNR-IPCF, Pisa, Italy), Marianne Rooman (U.. Libre de Bruxelles), Marianne Safronova (U.. Delaware, USA), Zhigang Shuai (Chinese Acad.. Science, P.. R.. China), Gustavo E.. Scuseria (Rice U.. , USA), Seiichiro Ten-no (Kobe U.. , Japan), Valentina Tozzini (CNR, Pisa, Italy), Joanna Trylska (U.. Warsaw, Poland), Janlan Wang (Southeast U.. , China), Dong-Qing Wei (U.. Jiao Tong, Shangai, China), Claudio M.. Zicovich-Wilson (U.. Morelos, Mexico).. For the location we are looking for a site for about 400-500 participants, with one large plenary conference room and additional 4 large conference rooms for the planned quadruple sessions.. The location should have easy accessible lodging and dining facilities.. You are very welcome to come to the TACC-2016 International Congress.. If you were at the TACC-2012 Congress, we hope you will bring from your country to the West Coast a few computational chemists not present at TACC-2012.. Enrico Clementi..

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  • Title:
    Descriptive info: TACC-2012.. University of Pavia September 2-7, 2012.. USA West Coast.. to be announced.. Enrico Clementi..

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  • Title: Confirmed Speakers
    Descriptive info: Novel devices from the computer industry, Nano-material/devices from Computational Chemistry, Nano-technology in Medicine, Polymers: Theory and Applications, Periodic and Quasi-Periodic systems, Reaction Dynamics, Theory for Catalysis, Quantum Chemical Methods in Bio-catalysis, Quantum Mechanical Applications, Accurate Quantum Chemical Models, Quantum Chemical Simulations, Quantum Mechanical Simulations, Computational Methods in Quantum Chemistry, Relativity Problems in Chemistry, Methodology Development and Application in Computational Biochemistry, Enhanced Sampling Methods for Molecular Simulation in Computational Biochemistry, Chemio-informatics, Drug Design, Computer Hardware, in particular the "k computer day".. “The K computer day” was a special one day presentation  ...   installed in Kobe, Japan (availability for shared use in the fall 2012).. The “K computer day” was an event jointly sponsored by.. RIKEN Advanced Institute for Computational Science.. ,.. Fujitsu.. , University of Pavia and Comitato TACC.. The program for the TACC-2012 Congress includes Invited Lectures, Oral Presentations, Poster Presentations and, in parallel, the K-day (on September 5-th) sponsored by RIKEN AICS and Fujitsu.. The K-day features lectures and demonstration on the development of the recent K computer and a round table discussion on supercomputer applications, in particular for Computational Chemistry..

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  • Title: Confirmed Speakers
    Descriptive info: The opening address "Chemistry with Methane.. Concepts Rather than Recipes" was given by Helmut Schwarz (Technical University Berlin, Germany).. World experts like Jean-Marie Andrè (U.. Namur, Belgium), Paul Bagus (U.. North Texas, USA), Vittorio Bellotti (U.. Pavia, Italy), Enrico Clementi (Como, Italy), Roberto Dovesi (U.. Turin, Italy), Michel Dupuis (Pacific Northwest National Lab, USA), Fahmi Himo (U.. Stockholm, Sweden), Kimihiko Hirao (Riken, Japan), Kwang S.. , Korea), Wenjiam Liu (U.. Peking, China), J.. Andrew McCammon (U.. San  ...   (U.. Namur, Belgium), Dongqing Wei (U.. Jiao Tong, Shanghai, China) have helped the conference Chairman,.. in the organization of conference sessions.. Six sessions of invited oral contributions were added with chairpersons Vincenzo Carravetta (CNR-IPCF, Italy), Jaime Fernandez Rico (U.. Autonoma de Madrid, Spain), Antonio Largo (U.. Valladolid, Spain), Marco A.. Nascimento (U.. Federal do Rio de Janeiro, Brazil), Carlo Petrongolo (CNR-IPCF, Italy, Antonio Rizzo (CNR-IPCF, Italy).. The last session was chaired by Sigrid Peyerimhoff (U.. Bonn, Germany)..

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  • Title: Confirmed Speakers
    Descriptive info: Invited Speakers.. Jean-Marie André (U.. Namur, Belgium).. Abstract.. Johan Åqvist (U.. Uppsala, Sweden).. Paul Bagus (U.. North Texas, USA).. Rodney Bartlett (U.. of Florida, USA).. Vittorio Bellotti (U.. Robert Berger (T.. U.. Darmstadt, Germany).. Vlasta Bonačić-Koutecký (Humboldt U.. , Germany).. Joel Bowman (Emory U.. , USA).. Ria Broer (U.. Groningen, The Netherlands).. Ciro Cecconi (U.. Modena and Reggio Emilia, Italy).. Garnet Chan (Cornell U.. David Clary (Oxford U.. , UK).. Enrico Clementi (Como, Italy).. David L.. Cooper (U.. Liverpool, UK).. Qiang Cui (U.. Wisconsin, USA).. Thomas Cundari (U.. Sofia Deloudi (ETH, Zurich, Switzerland).. Massimiliano Di Ventra (U.. San Diego, USA).. Roberto Dovesi (U.. Turin, Italy).. Michel Dupuis (Pacific Northwest National Lab, USA).. Adel A.. El-Azhary (Kink Saud U.. , Audi Arabia).. Martin J.. Field (U.. Grenoble, France).. Fernando Flores (U.. Madrid, Spain).. Hajo Freund (Fritz-Haber, Max-Planck, Germany).. Hong Guo (U.. Tennessee, USA).. Sihyun Ham (Sookmyung Women's U.. , Korea).. Nick Harrison (Imperial College, London, UK).. Jeremy Harvery (U.. Bristol, UK).. George Heimel (Humboldt U.. Fahmi Himo (U.. Stockholm, Sweden).. Kimihiko Hirao (RIKEN  ...   , Japan).. Marchall Newton (BNL, USA).. Juan J.. Novoa (U.. Barcelona, Spain).. Niels Yngve Öhrn (U.. Vincent Ortiz (U.. Auburn, USA).. Gianfranco Pacchioni (U.. Bicocca, Italy).. Stuart Parkin (IBM Almaden, USA).. Maddalena Patrini (U.. Paul L.. Popelier (U.. Manchester, UK).. Oleg Prezhdo (U.. Rochester, USA).. Maria Joao Ramos (U.. Porto, Portugal).. Chad Risko (Georgia Tech.. Didier Rognan (Université de Strasbourg, France).. Marianne Rooman (Université libre de Bruxelles, Belgium).. Marianna Safronova (U.. Delaware, USA).. Dennis Salahub (U.. Calgary, Canada).. Trond Saue (U.. Toulouse, France).. George Schatz (Northwestern U.. Martin Schuetz (U.. Regensburg, Germany).. Peter Schwerdtfeger (Massey U.. , New Zealand).. Gustavo E.. David Sept (U.. Michigan, Ann Arbor, USA).. Zhigang Shuai (Tsinghua U.. , China).. Jiri Sponer (Czech Acad.. Science, Czech Republic).. Hermann Stoll (U.. Stuttgart, Germany).. Bahoueddine Tangour (U.. Tunis-El Manar, Tunisia).. Greg Taylor (INTEL, Hillsboro, Oregon, USA).. Seiichiro Ten-no (Kobe U.. Valentina Tozzini (CNR, Pisa, Italy).. Joanna Trylska (U.. Warsaw, Poland).. Jinlan Wang (Southeast U.. , Nanjing, China).. Jiao Tong, Shanghai, China).. Claudio Zannoni (U.. Bologna, Italy).. Claudio M.. Morelos, Mexico)..

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  • Title: Confirmed Oral Presentations
    Descriptive info: Oral Presentations.. Viktorya Aviyente (U.. Bogazici, Turkey).. Tahra Ayed (U.. Nantes, France).. Kyoung Koo Baeck (Gangneung-Wonju National U.. , South Korea).. Evert Jan Baerends (VU U.. Amsterdam, The Netherlands).. Elena Bichoutskaia (U.. Nottingham, United Kingdom).. Anastasia V.. Bochenkova (Aarhus U.. , Denmark).. Enrique M.. Cabaleiro-Lago (U.. Santiago de Compostela, Spain).. Xiaoyan Cao (U.. Cologne, Germany).. Vincenzo Carravetta (CNR-IPCF, Italy).. Pratim K.. Chattaraj (Indian Institute Tech.. Geraldine Cilpa-Karhu (U.. Helsinki, Finland).. Attila Császár (Eötvös Loránd U.. , Hungary).. Julio J.. Fernández (U.. National Education, Spain).. Karin Fink (Karlsruhe Institute of Tech.. Franco A.. Gianturco (U.. Rome "Sapienza", Italy).. Andreas Grüneis (U.. Vienna, Austria).. Nathalie Guihéry (U.. Toulouse 3, France).. Sergey Gusarov (Nat.. Inst.. Nanotechnology, Canada).. Kersti Hermansson (Uppsala U.. , Sweden).. Terttu Hukka (Tampere U..  ...   (CNRS U.. Montpellier 2, France).. Laurence Leherte (FUNDP, Belgium).. Williams A.. Lester, Jr (U.. California, USA).. Dimitrios G.. Liakos (Max-Planck, Germany).. Fatima Lucas (Barcelona Supercomputing Center, Spain).. Hans P.. Lüthi (ETH, Switzerland).. Jan Martin (Weizmann Institute , Israel).. Estela Mayoral (ININ, Mexico).. Evert Jan Meijer (U.. Claude Millot (U.. Lorraine, France).. Seiji Mori (Ibaraki U.. Marco A.. Federal do Rio de Janeiro, Brazil).. Dmitry Nerukh (Aston U.. Christian Ochsenfeld (U.. Munich, Germany).. Carlo Petrongolo (CNR-IPCF, Italy).. Antonio Rizzo (CNR-IPCF, Italy).. Javier Fdez.. Sanz (U.. Sevilla, Spain).. Ivano Tavernelli (EPFL, Switzerland).. Vincent Tognetti (U.. Rouen,France).. Jesús M.. Ugalde (U.. Donostia, Spain).. Angela Wilson (U.. Marek J.. Wójcik ( Jagiellonian U.. , Poland).. Clemens Woywod (Tromsø U.. , Norway).. Jen-Shiang K.. Yu (National Chiao Tung U..

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  • Archived pages: 26