Focus Session: Petascale Science and Beyond: Applications and Opportunities in Materials Science and Chemistry II
FOCUS · M23 ·
Presentations
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DAG Software Architectures for Multi-Scale Multi-Physics Problems at Petascale and Beyond
COFFEE_KLATCH · Invited
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Authors
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Martin Berzins
- SCI INSTITUTE, UNIVERSITY OF UTAH
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High performance electronic structure engineering
ORAL
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Authors
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Marco Govoni
- University of Chicago, Institute for Molecular Engineering
- Institute for Molecular Engineering, The University of Chicago; Materials Science Division, Argonne National Laboratory
- Institute for Molecular Engineering, The University of Chicago
- The Institute for Molecular Engineering, The University of Chicago
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Giulia Galli
- The University of Chicago
- Institute for Molecular Engineering, the University of Chicago
- University of Chicago, Institute for Molecular Engineering
- Institute for Molecular Engineering, University of Chicago
- Univ of Chicago
- Institute for Molecular Engineering, The University of Chicago; Materials Science Division, Argonne National Laboratory
- University of Chicago
- Institute for Molecular Engineering, University of Chicago, USA
- The Institute for Molecular Engineering, The University of Chicago
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Excited calculations of large scale multiwalled nanotubes using real-space pseudopotential methods
ORAL
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Authors
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Charles Lena
- University of Texas at Austin
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James R. Chelikowsky
- University of Texas at Austin
- University of Austin at Texas
- Univ of Texas, Austin
- The University of Texas at Austin
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Jack Deslippe
- Lawrence Berkeley Natl Lab
- Lawrence Berkeley National Laboratory
- National Energy Research Scientific Computing Center
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Yousef Saad
- University of Minnesota
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Chao Yang
- Lawrence Berkeley National Laboratory
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Steven G. Louie
- University of California at Berkeley, Lawrence Berkeley National Lab
- University of California - Berkeley and Lawrence Berkeley National Lab
- Department of Physics, University of California at Berkeley; Materials Sciences Divisions, Lawrence Berkeley National Laboratory
- Univ of California - Berkeley and Lawrence Berkeley National Lab
- Department of Physics, UC Berkeley and Lawrence Berkeley National Lab
- University of California, Berkeley and Lawrence Berkeley National Laboratory
- University of California at Berkeley and Lawrence Berkeley National Laboratory
- UC Berkeley and Lawrence Berkeley National Lab
- University of California at Berkeley and Lawrence Berkeley National Lab
- Physics Department, UC Berkeley and Lawrence Berkeley National Lab
- Department of Physics, University of California, Berkeley, and Materials Science Division, Lawrence Berkeley National Lab, Berkeley, CA 94720, USA
- UC Berkeley physics/ LBNL MSD
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Scalable real space pseudopotential-density functional codes for materials applications
ORAL
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Authors
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James Chelikowski
- University of Texas at Austin
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Charles Lena
- University of Texas at Austin
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Grady Schofield
- University of Texas at Austin
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Yousef Saad
- University of Minnesota
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Jack Deslippe
- Lawrence Berkeley Natl Lab
- Lawrence Berkeley National Laboratory
- National Energy Research Scientific Computing Center
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Chao Yang
- Lawrence Berkeley National Laboratory
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Numerical solutions of the time-dependent Schroedinger equation for atoms and molecules in intense laser fields
COFFEE_KLATCH · Invited
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Authors
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Xiaoxu Guan
- Louisiana State University
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Solving the Time Dependent Schroedinger Equation using the FEDVR/SIL Method
ORAL
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Authors
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Barry Schneider
- NIST
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Hybrid MPI/OpenMP First Principles Materials Science Codes for Intel Xeon Phi (MIC) based HPC: The Petascale and Beyond
ORAL
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Authors
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Andrew Canning
- Lawrence Berkeley National Laboratory and University of California, Davis
- Lawrence Berkeley National Lab
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Jack Deslippe
- Lawrence Berkeley Natl Lab
- Lawrence Berkeley National Laboratory
- National Energy Research Scientific Computing Center
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James R. Chelikowsky
- University of Texas at Austin
- University of Austin at Texas
- Univ of Texas, Austin
- The University of Texas at Austin
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Steven G. Louie
- University of California at Berkeley, Lawrence Berkeley National Lab
- University of California - Berkeley and Lawrence Berkeley National Lab
- Department of Physics, University of California at Berkeley; Materials Sciences Divisions, Lawrence Berkeley National Laboratory
- Univ of California - Berkeley and Lawrence Berkeley National Lab
- Department of Physics, UC Berkeley and Lawrence Berkeley National Lab
- University of California, Berkeley and Lawrence Berkeley National Laboratory
- University of California at Berkeley and Lawrence Berkeley National Laboratory
- UC Berkeley and Lawrence Berkeley National Lab
- University of California at Berkeley and Lawrence Berkeley National Lab
- Physics Department, UC Berkeley and Lawrence Berkeley National Lab
- Department of Physics, University of California, Berkeley, and Materials Science Division, Lawrence Berkeley National Lab, Berkeley, CA 94720, USA
- UC Berkeley physics/ LBNL MSD
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Time-Dependent Superfluids on Heterogeneous Computing Platforms
ORAL
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Authors
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Kenneth Roche
- Pacific Northwest National laboratory and University of Washington
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Identification of metastable ultrasmall titanium oxide clusters using a hybrid optimization algorithm
ORAL
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Authors
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Eric Inclan
- Florida International University, Miami, FL 33174
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David Geohegan
- Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831
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Mina Yoon
- Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831
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