Electrons, Phonons, Electron-Phonon Scattering, and Phononics VI
FOCUS · P20 · ID: 381026
Presentations
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Quantifying Uncertainty in First-Principles Predictions of Molecular Vibrational Frequencies, Phonon Properties, and Thermal Conductivity
Invited
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Presenters
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Alan McGaughey
- Carnegie Mellon Univ
- Mechanical Engineering, Carnegie Mellon University
Authors
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Alan McGaughey
- Carnegie Mellon Univ
- Mechanical Engineering, Carnegie Mellon University
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Holden L Parks
- Carnegie Mellon Univ
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Hyun-Young Kim
- Carnegie Mellon Univ
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Venkat Viswanthan
- Carnegie Mellon Univ
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Electron-phonon drag enhancement of transport properties from fully coupled <i>ab initio</i> Boltzmann formalism
ORAL
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Presenters
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Nakib Protik
- Harvard University
Authors
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Nakib Protik
- Harvard University
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Boris Kozinsky
- Harvard University
- John A. Paulson School of Engineering and Applied Sciences, Harvard University
- School of Engineering & Applied Sciences, Harvard University
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CDW phases of rare-earth Tritellurides from first principles
ORAL
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Presenters
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Adam Denchfield
- University of Illinois at Chicago
Authors
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Adam Denchfield
- University of Illinois at Chicago
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Hyowon Park
- University of Illinois at Chicago
- Department of Physics, University of Illinois at Chicago
- University of Illinois, Chicago
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Peter Littlewood
- University of Chicago
- Physics, University of Chicago
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Phonon linewidths as measures of anharmonicity in different materials
ORAL
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Presenters
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Claire Saunders
- Caltech
Authors
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Claire Saunders
- Caltech
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Brent Fultz
- Caltech
- Materials Science, California Institute of Technology
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Longitudinal and Transverse Dispersion in Liquids from Elementary Excitations
ORAL
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Presenters
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Alexander Fullmer
- North Carolina State University
Authors
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Alexander Fullmer
- North Carolina State University
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Anant Raj
- North Carolina State University
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Jacob Eapen
- North Carolina State University
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Improvements to the Frequency Domain Perfectly Matched Layer (FDPML) method for fast and large scale phonon transport simulation in nanostructures
ORAL
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Presenters
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Joseph Feser
- University of Delaware
Authors
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Joseph Feser
- University of Delaware
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Rohit R Kakodkar
- Brown University
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State-of-the-Art Matrix-Product-State Methods for Lattice Models with Large Local Hilbert Spaces and Without Number Conservation
ORAL
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Presenters
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Sebastian Paeckel
- Ludwig-Maximilians-Universitaet (LMU-Munich)
Authors
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Jan Stolpp
- Institute for Theoretical Physics, Georg-August Universität (Göttingen)
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Thomas Koehler
- Department of Physics and Astronomy, Uppsala University
- Uppsala University
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Salvatore R Manmana
- Institute for Theoretical Physics, Georg-August Universität (Göttingen)
- University of Gottingen
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Eric Rene Jeckelmann
- Institute for Theoretical Physics, Leibniz Universität Hannover
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Fabian Heidrich-Meisner
- Institute for Theoretical Physics, Georg-August Universität (Göttingen)
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Sebastian Paeckel
- Ludwig-Maximilians-Universitaet (LMU-Munich)
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First principles simulations of phonon-assisted indirect optical properties of common SiC polytypes
ORAL
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Presenters
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Xiao Zhang
- University of Michigan
Authors
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Xiao Zhang
- University of Michigan
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Emmanouil Kioupakis
- University of Michigan
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Quasi-harmonic temperature dependent elastic constants from first principles
ORAL
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Presenters
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Cristiano Malica
- SISSA
Authors
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Cristiano Malica
- SISSA
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Andrea Dal Corso
- SISSA
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Lattice dynamics of body-centered cubic Zr and FeTi from scratch
ORAL
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Presenters
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Adrian De la Rocha Galán
- University of Texas at El Paso
Authors
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Adrian De la Rocha Galán
- University of Texas at El Paso
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Vanessa Judith Meraz
- University of Texas at El Paso
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Armando Garcia
- University of Texas at El Paso
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Bethuel Khamala
- University of Texas at El Paso
- Physics, University of Texas at El Paso and New Mexico Sate University
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Yu-Hang Tang
- Computational Research Division, Lawrence Berkeley National Laboratory
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Wibe A De Jong
- Lawrence Berkeley National Laboratory
- Lawrence Berkeley National Lab
- Computational Research Division, Lawrence Berkeley National Laboratory
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Jorge Munoz
- University of Texas at El Paso
- Physics, University of Texas at El Paso
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Spin-lattice coupling in the classical invar alloy from first principles
ORAL
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Presenters
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Matthew Heine
- Boston College
- Physics, Boston College
Authors
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Matthew Heine
- Boston College
- Physics, Boston College
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Olle Hellman
- Physics, Chemistry and Biology (IFM), Linkoping University
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David Broido
- Boston College
- Physics, Boston College
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Search for high thermal conductivity materials among boron/carbon/nitrogen compounds
ORAL
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Presenters
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Chunhua Li
- Boston College
Authors
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Chunhua Li
- Boston College
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Matthew Heine
- Boston College
- Physics, Boston College
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David Broido
- Boston College
- Physics, Boston College
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Implementation, validation and applications of electron-phonon calculations to large systems
ORAL
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Presenters
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Han Yang
- Department of Chemistry, University of Chicago
Authors
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Han Yang
- Department of Chemistry, University of Chicago
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Marco Govoni
- Materials Science Division and Center for Molecular Engineering, Argonne National Laboratory
- Argonne National Laboratory
- Materials Science Division, Argonne National Laboratory
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Giulia Galli
- The University of Chicago
- Pritzker School of Molecular Engineering, The University of Chicago
- Pritzker School of Molecular Engineering, University of Chicago
- University of Chicago
- Department of Chemistry, University of Chicago
- Materials Science Division and Center for Molecular Engineering, Argonne National Laboratory
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