Electron Transport and Dynamics I

Presentations

• Beyond Ion Dynamics: Efficient Charge Transport Simulations including Electrons at Battery Scales

  Invited-In-person · Invited

  March 17, 2026, 8:00 AM – March 17, 2026, 8:36 AM

  Presenters

  • Christian Carbogno

    • Fritz Haber Institute of the Max Planck Society

  Authors

  • Christian Carbogno

    • Fritz Haber Institute of the Max Planck Society

  • Matteo Rinaldi

  • Karsten Reuter

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• Electron-Phonon Coupling and Electronic Transport at the Moire Scale from a First-Principles Based Atomistic Tight-Binding Approach

  Oral-In-person

  March 17, 2026, 8:36 AM – March 17, 2026, 8:48 AM

  Publication: D. Abramovitch, M. Bernardi, To Be Submitted

  Presenters

  • David Abramovitch

    • Caltech

  Authors

  • David Abramovitch

    • Caltech

  • Marco Bernardi

    • Caltech

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• Nonlinear carrier transport under a uniform electric field.

  Oral-In-person

  March 17, 2026, 8:48 AM – March 17, 2026, 9:00 AM

  Presenters

  • SUEHYUK AHN

    • Seoul National University

  Authors

  • SUEHYUK AHN

    • Seoul National University

  • Ivo Souza

    • Centro de Física de Materiales

  • Cheol-Hwan Park

    • Seoul Natl Univ

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• Spatio-temporal spin transport with electron-phonon scattering from first principles

  Oral-In-person

  March 17, 2026, 9:00 AM – March 17, 2026, 9:12 AM

  Publication: M. Fadel, J.Quinton, M. Chandra, M. Gupta, Y. Ping and R. Sundararaman,"Spatio-temporal spin transport from first principles," (arXiv:2505.07745).

  Presenters

  • Mayada Fadel

    • Rensselaer Polytechnic Institute

  Authors

  • Mayada Fadel

    • Rensselaer Polytechnic Institute

  • Joshua Quinton

    • Rensselaer Polytechnic Institute

  • Mani Chandra

  • Mayank Gupta

    • University of Wisconsin - Madison

  • Yuan Ping

  • Ravishankar Sundararaman

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• Exciton–Phonon Coupling and Transport Pathways in Complex Semiconductors from First Principles

  Invited-In-person · Invited

  March 17, 2026, 9:12 AM – March 17, 2026, 9:48 AM

  Presenters

  • Jeffrey Neaton

    • University of California, Berkeley

  Authors

  • Jeffrey Neaton

    • University of California, Berkeley

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• Coupled Electron-Phonon-Defect Interactions from First Principles

  Oral-In-person

  March 17, 2026, 9:48 AM – March 17, 2026, 10:00 AM

  Presenters

  • Rongjing Guo

    • University of Texas at Austin

  Authors

  • Rongjing Guo

    • University of Texas at Austin

  • Yuanyue Liu

    • University of Texas at Austin

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• Development of AiiDA-AkaiKKR: Automated Workflow and Improved Integration-Energy Scheme for First-Principles Vertex-Corrected Conductivity Calculations

  Oral-In-person

  March 17, 2026, 10:00 AM – March 17, 2026, 10:12 AM

  Presenters

  • Hiori Kino

    • The Insitutte of Statistical Mathamatics

  Authors

  • Hiori Kino

    • The Insitutte of Statistical Mathamatics

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• Ab-initio modeling of electron transport in polycrystalline materials using the space-dependent Boltzmann transport equation

  Oral-In-person

  March 17, 2026, 10:12 AM – March 17, 2026, 10:24 AM

  Presenters

  • Kwangrae Kim

    • University of Texas at Austin

  Authors

  • Kwangrae Kim

    • University of Texas at Austin

  • Yuanyue Liu

    • University of Texas at Austin

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• Bulk photovoltaic effect in rhombohedral graphene

  Oral-In-person

  March 17, 2026, 10:24 AM – March 17, 2026, 10:36 AM

  Presenters

  • Jiangxu Li

    • University of Texas at Dallas

  Authors

  • Jiangxu Li

    • University of Texas at Dallas

  • Praveen Dinesh Pai

  • Fan Zhang

    • University of Texas at Dallas

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• First principles simulation of electron transport in large-scale heterogeneous material by machine learning

  Oral-In-person · Withdrawn

  March 17, 2026, 10:36 AM – March 17, 2026, 10:48 AM

  Presenters

  • Xueheng Kuang

    • University of Texas at Austin

  Authors

  • Xueheng Kuang

    • University of Texas at Austin

  • Yuanyue Liu

    • University of Texas at Austin

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• Beyond-quasiparticles transport with vertex correction

  Oral-In-person

  March 17, 2026, 10:48 AM – March 17, 2026, 11:00 AM

  Publication: J.M. Lihm and S. Poncé, arXiv:2506.18139v1 (2025)

  Presenters

  • Samuel Poncé

    • UCLouvain

  Authors

  • Samuel Poncé

    • UCLouvain

  • Jae-Mo Lihm

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