Electrons, Phonons, Electron-Phonon Scattering, and Phononics: IV

Presentations

• Computing electron and phonon transport including drag: current state-of-the-art and what comes next

  ORAL · Invited

  March 18, 2025, 3:00 PM – March 18, 2025, 3:36 PM

  Presenters

  • Nakib H Protik

    • Humboldt University of Berlin

  Authors

  • Nakib H Protik

    • Humboldt University of Berlin

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• Phase diagram and thermal conductivity of TaN from first principles

  ORAL

  March 18, 2025, 3:36 PM – March 18, 2025, 3:48 PM

  Presenters

  • Sungyeb Jung

    • The University of Texas at Austin

  Authors

  • Sungyeb Jung

    • The University of Texas at Austin

  • Hongze Li

    • University of Texas at Austin
    • The University of Texas at Austin

  • Li Shi

    • University of Texas at Austin

  • Jianshi Zhou

    • University of Texas at Austin
    • The University of Texas at Austin

  • Feliciano Giustino

    • University of Texas at Austin

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• Ultra-Low Heat Conductivity by Configurational Entropy for Thermoelectric Conversion

  ORAL

  March 18, 2025, 3:48 PM – March 18, 2025, 4:00 PM

  Presenters

  • Tara Karimzadeh Sabet

    • Pennsylvania State University
    • The Pennsylvania State University
    • Carnegie Mellon University

  Authors

  • Tara Karimzadeh Sabet

    • Pennsylvania State University
    • The Pennsylvania State University
    • Carnegie Mellon University

  • Robert A Robinson

    • Pennsylvania State University
    • The Pennsylvania State University
    • Penn State

  • Francisco Marques dos Vieira

    • Pennsylvania State University

  • Saeed S Almishal

    • Pennsylvania State University
    • The Pennsylvania State University

  • Sai Venkata Gayathri Ayyagari

    • The Pennsylvania State University
    • Pennsylvania State University

  • Rowan R Katzbaer

    • The Pennsylvania State University
    • Pennsylvania State University

  • Gabriele Di Gianluca

    • University of Florida

  • Saugata Sarker

    • The Pennsylvania State University
    • Pennsylvania State University

  • Pedro R Trinidad-Perez

    • The Pennsylvania State University
    • Pennsylvania State University

  • John Barber

    • Virginia Tech

  • Seng Huat Lee

    • Pennsylvania State University

  • James Hodges

    • The Pennsylvania State University
    • Pennsylvania State University

  • Raymond E Schaak

    • The Pennsylvania State University
    • Pennsylvania State University

  • Vincent H Crespi

    • Pennsylvania State University
    • The Pennsylvania State University

  • Nasim Alem

    • The Pennsylvania State University
    • Pennsylvania State University

  • Christina M Rost

    • Virginia Tech

  • Jon-Paul Maria

    • Pennsylvania State University
    • Penn State University

  • Zhiqiang Mao

    • Pennsylvania State University

  • Ismaila Dabo

    • Carnegie Mellon University

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• Data-driven compression of first-principles phonon-phonon interactions

  ORAL

  March 18, 2025, 4:00 PM – March 18, 2025, 4:12 PM

  Presenters

  • Yao Luo

    • Caltech

  Authors

  • Yao Luo

    • Caltech

  • Dhruv Mangtani

    • Stanford University

  • Jia Yao

    • Caltech

  • Sergei Kliavinek

    • Caltech

  • Marco Bernardi

    • Caltech

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• Physics and Data-driven Acceleration of Phonon Dynamics Calculations in Ultrahigh Thermal Conductivity Materials

  ORAL

  March 18, 2025, 4:12 PM – March 18, 2025, 4:24 PM

  Presenters

  • Nikhil Malviya

    • Indian Institute of Science Bangalore

  Authors

  • Nikhil Malviya

    • Indian Institute of Science Bangalore

  • Navaneetha Ravichandran

    • Indian Institute of Science Bangalore

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• Abstract Withdrawn

  ORAL · Withdrawn

  March 18, 2025, 4:24 PM – March 18, 2025, 4:36 PM

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• Phonon Boltzmann transport equation beyond the semiclassical regime

  ORAL

  March 18, 2025, 4:36 PM – March 18, 2025, 4:48 PM

  Publication: Submitted for review

  Presenters

  • Enrico Di Lucente

    • EPFL

  Authors

  • Enrico Di Lucente

    • EPFL

  • Michele Simoncelli

    • Theory of Condensed Matter Group, Cavendish Laboratory, University of Cambridge
    • Univ of Cambridge
    • TCM group, Cavendish Laboratory, University of Cambridge

  • Nicola Marzari

    • Ecole Polytechnique Federale de Lausanne
    • École Polytechnique Fédérale de Lausanne (EPFL)
    • Ecole Polytechnique Federale de Lausanne (EPFL), Paul Scherrer Institut (PSI)

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• Bond-network entropy controls thermal conductivity of coordination-disordered solids

  ORAL

  March 18, 2025, 4:48 PM – March 18, 2025, 5:00 PM

  Publication: Bond-network entropy controls thermal conductivity of coordination-disordered solids (planned paper)

  Presenters

  • Kamil Iwanowski

    • TCM group, Cavendish Laboratory, University of Cambridge

  Authors

  • Kamil Iwanowski

    • TCM group, Cavendish Laboratory, University of Cambridge

  • Gabor Csanyi

    • Engineering Laboratory, University of Cambridge
    • Applied Mechanics Group, Mechanics, Materials and Design, Department of Engineering, University of Cambridge

  • Michele Simoncelli

    • Theory of Condensed Matter Group, Cavendish Laboratory, University of Cambridge
    • Univ of Cambridge
    • TCM group, Cavendish Laboratory, University of Cambridge

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• Phonon polarization conversion at boundaries suppresses the thin film thermal conductivity of semiconductors with large group velocity ratio

  ORAL

  March 18, 2025, 5:00 PM – March 18, 2025, 5:12 PM

  Presenters

  • Navaneetha Ravichandran

    • Indian Institute of Science Bangalore

  Authors

  • Navaneetha Ravichandran

    • Indian Institute of Science Bangalore

  • Vasumathy Ravishankar

    • Indian Institute of Science Bangalore

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• Ab initio Prediction of Novel Induced Stacking Phase Transition in Intercalated Bi₂Se₃ Heterostructures: Implications on Thermoelectric Transport

  ORAL

  March 18, 2025, 5:12 PM – March 18, 2025, 5:24 PM

  Presenters

  • Drake Niedzielski

    • Cornell University

  Authors

  • Drake Niedzielski

    • Cornell University

  • Betul Pamuk

    • Williams College

  • Mark Polking

    • MIT Lincoln Labs

  • Tomás A Arias

    • Cornell University

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• Interacting Phonon Green's Function in Strontium Titanate via Self-Consistent Perturbation Theory and Irreducible Derivatives

  ORAL

  March 18, 2025, 5:24 PM – March 18, 2025, 5:36 PM

  Presenters

  • Shenwei Wu

    • Columbia University

  Authors

  • Shenwei Wu

    • Columbia University

  • Mark A Mathis

    • Los Alamos National Laboratory

  • Enda Xiao

    • Columbia University

  • Sasaank Bandi

    • Columbia University

  • Chris A Marianetti

    • Columbia University

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• Phonon lifetime and thermal transport in uranium dioxide via self-consistent perturbation theory

  ORAL

  March 18, 2025, 5:36 PM – March 18, 2025, 5:48 PM

  Publication: S. Zhou, et al., Phonon Thermal Transport in UO2 via Self-Consistent Perturbation Theory, Phys. Rev. Lett. 132, 106502 (2024) (https://doi.org/10.1103/PhysRevLett.132.106502, https://arxiv.org/abs/2310.09282)

  Presenters

  • Shuxiang Zhou

    • Idaho National Laboratory

  Authors

  • Shuxiang Zhou

    • Idaho National Laboratory

  • Enda Xiao

    • Columbia University

  • Hao Ma

    • Oak Ridge National Laboratory

  • Krzysztof Gofryk

    • Idaho National Laboratory
    • Center for Quantum Actinide Science and Technology, Idaho National Laboratory

  • Chao Jiang

    • Idaho National Laboratory

  • Michael E Manley

    • Oak Ridge National Laboratory

  • David H Hurley

    • Idaho National Laboratory

  • Chris A Marianetti

    • Columbia University

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