Computational Physics at the Petascale and Beyond II
FOCUS · B7 ·
Presentations
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Adaptive sampling strategies with high-throughput molecular dynamics
COFFEE_KLATCH · Invited
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Authors
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Cecilia Clementi
- Rice University
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Freud: a software suite for high-throughput simulation analysis
ORAL
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Authors
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Eric Harper
- Univ of Michigan - Ann Arbor
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Matthew Spellings
- Univ of Michigan - Ann Arbor
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Joshua Anderson
- Univ of Michigan - Ann Arbor
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Sharon Glotzer
- Univ of Michigan - Ann Arbor
- University of Michigan
- Department of Chemical Engineering, Department of Physics, Department of Material Science and Engineering, University of Michigan, Ann Arbor
- Department of Physics, Department of Chemical Engineering, University of Michigan
- Department of Chemical Engineering, Department of Material Science and Engineering
- Department of Chemical Engineering, University of Michigan, Ann Arbor
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Efficient Calculation of Exact Exchange Within the Quantum Espresso Software Package
ORAL
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Authors
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Taylor Barnes
- Lawrence Berkeley Natl Lab
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Thorsten Kurth
- Lawrence Berkeley Natl Lab
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Pierre Carrier
- Cray
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Nathan Wichmann
- Cray
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David Prendergast
- Lawrence Berkeley Natl Lab
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Paul Kent
- Oak Ridge Natl Lab
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Jack Deslippe
- Lawrence Berkeley Natl Lab
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Parallel performance for large scale GW calculation using the OpenAtom software
ORAL
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Authors
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Subhasish Mandal
- Yale University
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Minjung Kim
- Department of Applied Physics, Yale University
- Yale University
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Eric Mikida
- University of Illinois at Urbana Champaign
- University of Illinois Urbana-Champaign
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Kavitha Chndrasekar
- University of Illinois Urbana-Champaign
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Eric Bohm
- University of Illinois at Urbana Champaign
- University of Illinois Urbana-Champaign
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Nikhil Jain
- Lawrence Livermore National Laboratory
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Laxmikant V. Kale
- University of Illinois at Urbana Champaign
- University of Illinois Urbana-Champaign
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Glenn J. Martyna
- IBM T. J. Watson Research Center
- IBM Thomas J. Watson Research Center
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Sohrab Ismail-Beigi
- Department of Applied Physics, Yale University
- Center for Research on Interface Structures and Phenomena and Department of Applied Physics, Yale University
- Yale Univ
- Yale University
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Large scale ab initio molecular dynamics using the OpenAtom software
ORAL
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Authors
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Sohrab Ismail-Beigi
- Department of Applied Physics, Yale University
- Center for Research on Interface Structures and Phenomena and Department of Applied Physics, Yale University
- Yale Univ
- Yale University
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Subhasish Mandal
- Yale University
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Minjung Kim
- Department of Applied Physics, Yale University
- Yale University
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Eric Mikida
- University of Illinois at Urbana Champaign
- University of Illinois Urbana-Champaign
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Eric Bohm
- University of Illinois at Urbana Champaign
- University of Illinois Urbana-Champaign
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Prateek Jindal
- University of Illinois at Urbana Champaign
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Nikhil Jain
- Lawrence Livermore National Laboratory
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Laxmikant V. Kale
- University of Illinois at Urbana Champaign
- University of Illinois Urbana-Champaign
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Glenn J. Martyna
- IBM T. J. Watson Research Center
- IBM Thomas J. Watson Research Center
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Exploring ultrafast dynamics in photoexcited layered materials by large-scale quantum molecular dynamics simulations
ORAL
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Authors
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Aravind Krishnamoorthy
- CACS, USC
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Lindsay Bassman
- CACS, Dept. of Physics & Astronomy
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Aiichiro Nakano
- CACS, Depts. of Physics & Astronomy, Computer Science, and Chemical Engg. and Material Science, USC
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Rajiv Kalia
- CACS, Depts. of Physics & Astronomy, Computer Science, and Chemical Engg. and Material Science, USC
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Priya Vashishta
- Univ of Southern California
- CACS Mork Family Department of Chemical Engineering and Material Science, Department of Physics, University of Southern California
- University of Southern California
- CACS, Dept. of Physics & Astronomy, Dept. of Chemical Engineering & Materials Science, Dept. of Computer Science, University of Southern California
- CACS, Depts. of Physics & Astronomy, Computer Science, and Chemical Engg. & Material Science, USC
- CACS, Department of Physics and Astronomy, Department of Chemical Engineering and Materials Science
- Collaboratory of Advanced Computing and Simulations Department of Physics and Astronomy,University of Southern California
- CACS, Depts. of Physics & Astronomy, Computer Science, and Chemical Engg. and Material Science, USC
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Hiroyuki Kumazoe
- Dept. of Physics, Kumamoto University
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Masaaki Misawa
- Dept. of Physics, Kumamoto University
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Fuyuki Shimojo
- Dept. of Physics, Kumamoto University
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Multimillion-atom Reactive Molecular Dynamics Simulations on Oxidation of SiC Nanoparticles
ORAL
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Authors
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Ying Li
- Argonne National Laboratory
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Nichols Romero
- Argonne National Laboratory
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Workflow Management Systems for Molecular Dynamics on Leadership Computers
ORAL
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Authors
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Jack Wells
- Oak Ridge National Lab
- Oak Ridge National Laboratory
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Sergey Panitkin
- Brookhaven National Lab
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Danila Oleynik
- U. Texas-Arlington
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Shantenu Jha
- Rutgers U.
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Neutron Scattering in Chemistry: Experiments, Models and Statistical Description of Physical Phenomena
ORAL
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Authors
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Timmy Ramirez Cuesta
- Oak Ridge National Lab
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Highly Efficient Parallel Multigrid Solver For Large-Scale Simulation of Grain Growth Using the Structural Phase Field Crystal Model
ORAL
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Authors
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Zhen Guan
- University of California, Irvine
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Dmitry Pekurovsky
- San Diego Supercomputer Center
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Jason Luce
- University of Michigan
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Katsuyo Thornton
- University of Michigan
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John Lowengrub
- University of California, Irvine
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Large Scale GW Calculations on the Cori System
ORAL
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Authors
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Jack Deslippe
- Lawrence Berkeley National Lab
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Mauro Del Ben
- Lawrence Berkeley National Lab
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Felipe da Jornada
- University of California, Berkeley and Lawrence Berkeley National Lab
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Andrew Canning
- Lawrence Berkeley National Lab
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Steven Louie
- University of California, Berkeley and Lawrence Berkeley National Lab
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Open release of the DCA++ project
ORAL
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Authors
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Urs Haehner
- ETH Zurich
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Raffaele Solca
- Swiss National Supercomputing Center
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Peter Staar
- IBM Research - Zurich
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Gonzalo Alvarez
- ORNL
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Thomas Maier
- ORNL
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Michael Summers
- ORNL
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Thomas Schulthess
- ETH Zurich, Swiss National Supercomputing Center
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OpenRBC: Redefining the Frontier of Red Blood Cell Simulations at Protein Resolution
ORAL
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Authors
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Yu-Hang Tang
- Brown University
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Lu Lu
- Brown University
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He Li
- Brown University
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Leopold Grinberg
- IBM
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Vipin Sachdeva
- IBM
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Constantinos Evangelinos
- IBM
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George Karniadakis
- Brown University
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