Developments of DFT from Quantum to Statistical Mechanics (III)

FOCUS · E02

Presentations

  • Dynamical density functional theory for the collective behavior of active particles

    Invited

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    Presenters

    • Hartmut Loewen

      Institut für Theoretische Physik II, Weiche Materie, Heinrich-Heine-Universität Düsseldorf, Physics, Heinrich-Heine-University of Duesseldorf

    Authors

    • Hartmut Loewen

      Institut für Theoretische Physik II, Weiche Materie, Heinrich-Heine-Universität Düsseldorf, Physics, Heinrich-Heine-University of Duesseldorf

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  • A Density Functional Theory Study of Magnetic Fields Effects on the Intermolecular Interactions

    ORAL

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    Presenters

    • Hemanadhan Myneni

      Department of Physics, Temple University

    Authors

    • Hemanadhan Myneni

      Department of Physics, Temple University

    • Dariusz Kedziera

      Faculty of Chemistry, Nicolaus Copernicus University in Torun

    • Jan Andzelm

      RDRL-WMM-G, U.S. Army Research Laboratory

    • Erik Tellgren

      Department of Chemistry, University of Oslo

    • Trygve Helgaker

      Department of Chemistry, University of Oslo

    • Krzysztof Szalewicz

      Department of Physics and Astronomy, University of Delaware

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  • Fitting a Round Peg into a Round Hole -- Constructing an Asymptotically Correct Generalized Gradient Approximation.

    ORAL

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    Presenters

    • Antonio Cancio

      Physics and Astronomy, Ball State University, Ball State University

    Authors

    • Antonio Cancio

      Physics and Astronomy, Ball State University, Ball State University

    • Kieron Burke

      Physics and Chemistry, Univ of California - Irvine, Chemistry, Univ of California - Irvine, University of California Irvine, Chemistry, University of California, Chemistry, University of California, Irvine, University of California, Irvine, Univ of California - Irvine, Department of Chemistry, University of California-Irvine

    • Guo Chen

      University of California, Irvine

    • Brandon Krull

      University of California, Irvine

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  • Benchmark of computationally efficient self-interaction corrections using Fermi orbitals (FO-SIC) in DFT.

    ORAL

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    Presenters

    • Fredy Aquino

      Univ of California - Riverside, Chemical & Environmental Engineering, University of California, Riverside

    Authors

    • Fredy Aquino

      Univ of California - Riverside, Chemical & Environmental Engineering, University of California, Riverside

    • Alexey Feofanov

      University of Innsbruck, University of Waterloo, Korea University, Okinawa Institute of Science and Technology, University of California - Los Angeles, The University of Manchester, University of Puerto Rico at Humacao, Department of Physics & Electronics, University of Puerto Rico at Cayey, Department of Mathematics-Physics, Oak Ridge National Lab, Max Planck Institute for Chemical Physics of Solids, Department of Physics, University of Puerto Rico, Electrical Engineering Department, University of Arkansas, Department of Physics, University of Arkansas, School of Basic Sciences at IIT Mandi, H.P., India, Computational Biology, Flatiron Institute, Physics, Hong Kong Univ of Sci & Tech, University of California, Los Angeles, Max Planck Inst, Institute for Theoretical Physics, University of Cologne, Department of Physics, Simon Fraser University, Deutsches Elektronen Synchrotron (DESY), Institut fur Theoretische Physik, Univerisitat zu Berlin, Institut fur Physik, Univerisitat zu Berlin, Plymouth State University, The Graduate Center, CUNY, Nordita, KTH Royal Institute of Technology and Stockholm University, Univ of Connecticut - Storrs, Univ Stuttgart, University of Chicago, University of Texas at El Paso, University of Tulsa, California Institute of Technology, Georgia Institute of Technology, Universite Paris Diderot, Laboratoire MPQ, Universita di Trento, BEC Center, ICTP Trieste, Universita di Pisa, Inst of Physics Academia Sinica, Batelle, Cal State Univ- San Bernardino, Chemical Engineering, University of Michigan, QCD Labs, Department of Applied Physics, Aalto University, Yale University, MIT, Harvard Univ, Chemical & Environmental Engineering, University of California, Riverside, University of Frankfurt, Germany, University of Hamburg, Germany, Naval Research Laboratory, Cornell Univ, National Institute for Material Science, U.S. Naval Research Laboratory, Washington DC, Materials Engineering, University of Santa Barbara, Institute of Physics, Chinese Academy of Sciences, Univ of Texas, Arlington, MIT Lincoln Laboratory, University of Sydney, Iowa State University, Purdue University, Kansas State University, University of Maryland, John Hopkins University, Universite de Sherbrooke, Physics, Konkuk University, Perimeter Institute, University of Waterloo, D-Wave, San Jose State University, Université de Sherbrooke, Institute of Physics, EPFL - Lausanne​

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  • Ultra Long-Range Ab Initio Calculations

    ORAL

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    Presenters

    • Tristan Müller

      Max-Planck-Institute of Microstructure Physics

    Authors

    • Tristan Müller

      Max-Planck-Institute of Microstructure Physics

    • Sangeeta Sharma

      Theory, Max Planck Institute of Microstructure Physics, Max-Planck Institute of Microstructure Physics, Max Planck Inst Microstructure, Max-Planck-Institute of Microstructure Physics

    • Eberhard K Gross

      Max Planck Institute of Microstructure Physics, Theory, Max-Planck-Institute of Microstructure Physics, Theory, Max Planck Institute of Microstructure Physics, Max-Planck Institute of Microstructure Physics, Max Planck Inst Microstructure, Max-Planck-Institute of Microstructure Physics

    • John Dewhurst

      Theory, Max Planck Institute of Microstructure Physics, Max-Planck Institute of Microstructure Physics, Max Planck Inst Microstructure, Max-Planck-Institute of Microstructure Physics

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  • Joint Density-Functional Theory

    Invited

    –

    Presenters

    • Tomas Arias

      Physics, Cornell University, Cornell University, Cornell Univ

    Authors

    • Tomas Arias

      Physics, Cornell University, Cornell University, Cornell Univ

    • Kendra Letchworth-Weaver

      Argonne National Lab, Argonne National Laboratory

    • Ravishankar Sundararaman

      Department of Materials Science and Engineering, Rensselaer Polytechnic Institute (RPI), Materials Science and Engineering, Rensselaer Polytechnic Institute

    • Juan Mendez Valderrama

      Physics, University of Los Andes, University of Los Andes

    • Yunus Kinkhabwala

      Applied Physics, Cornell University, Cornell Univ

    • Itai Cohen

      Laboratory of Atomic and Solid State Physics, Cornell University, Physics, Cornell University, Cornell University, Department of Physics, Cornell University, Cornell Univ

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  • Scalability of DFT protocols for calculating quantum work in many-body systems

    ORAL

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    Presenters

    • Marcela Trujillo

      Federal University of ABC, Centro de Ciências Naturais e Humanas, Universidade Federal do ABC

    Authors

    • Marcela Trujillo

      Federal University of ABC, Centro de Ciências Naturais e Humanas, Universidade Federal do ABC

    • Krissia Zawadzki

      Instituto de Física de São Carlos, Universidade de São Paulo, Instituto de Fisica de Sao Carlos, Universidade de Sao Paulo

    • Roberto Serra

      Federal University of ABC, Centro de Ciências Naturais e Humanas, Universidade Federal do ABC

    • Irene D'Amico

      Department of Physics, University of York, Physics, University of York

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  • Modeling Phase Transition in Battery Electrodes Using the Coupled Cahn-Hilliard – Phase Field Crystal Methods

    ORAL

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    Presenters

    • Ananya Balakrishna

      Department of Materials Science and Engineering, Massachusetts Institute of Technology

    Authors

    • Ananya Balakrishna

      Department of Materials Science and Engineering, Massachusetts Institute of Technology

    • W. Craig Carter

      Department of Materials Science and Engineering, Massachusetts Institute of Technology

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  • One-electron energy spectra of isolated atoms via coupled-cluster singles and doubles

    ORAL

    –

    Presenters

    • Hirofumi Nishi

      The University of Tokyo, Department of Applied Physics, University of Tokyo

    Authors

    • Hirofumi Nishi

      The University of Tokyo, Department of Applied Physics, University of Tokyo

    • Taichi Kosugi

      Department of Applied Physics, University of Tokyo, The University of Tokyo

    • Yoritaka Furukawa

      The University of Tokyo, Department of Applied Physics, University of Tokyo

    • Yu-ichiro Matsushita

      Department of Applied Physics, University of Tokyo, The University of Tokyo

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