Excited State III: electron-phonon coupling
FOCUS · M46 · ID: 47306
Presentations
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Electron-Vibrational Coupling in and beyond The Phonon Picture: Concepts and Applications to Thermal and Electrical Conductivity
ORAL · Invited
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Publication: 1) F. Knoop, T.A.R. Purcell, M. Scheffler, and C. Carbogno, Anharmonicity Measure for Materials. Phys. Rev. Materials 4, 083809 (2020)
2) C. Carbogno, R. Ramprasad, and M. Scheffler, Ab initio Green-Kubo Approach for the Thermal Conductivity of Solids. Phys. Rev. Lett. 118, 175901 (2017)
3) R. Ouyang, S. Curtarolo, E. Ahmetcik, M. Scheffler, and L.M. Ghiringhelli, SISSO: a compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates . Phys. Rev. Mat. 2, 083802 (2018).
4) T.A.R. Purcell, M. Scheffler, L.M. Ghringhelli, and C. Carbogno, Accelerating Material-Space Exploration by Arti ficial Intelligence: The Case of the Lattice Thermal Conductivity, to be publishedPresenters
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Matthias Scheffler
- NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society
- Fritz-Haber Institute
- The NOMAD Laboratory at the Fritz Haber Institute of the MPG
Authors
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Matthias Scheffler
- NOMAD Laboratory, Fritz Haber Institute of the Max Planck Society
- Fritz-Haber Institute
- The NOMAD Laboratory at the Fritz Haber Institute of the MPG
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Time-dependent GW approach with finite-momentum electron and phonon couplings
ORAL
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Presenters
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Zhenglu Li
- University of California at Berkeley, and Lawrence Berkeley National Laboratory
- Physics Department, UC Berkeley and Lawrence Berkeley National Lab
- Lawrence Berkeley National Laboratory
- Lawrence Berkeley National Laboratory; University of California at Berkeley
- University of California at Berkeley and Lawrence Berkeley National Laboratory
Authors
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Zhenglu Li
- University of California at Berkeley, and Lawrence Berkeley National Laboratory
- Physics Department, UC Berkeley and Lawrence Berkeley National Lab
- Lawrence Berkeley National Laboratory
- Lawrence Berkeley National Laboratory; University of California at Berkeley
- University of California at Berkeley and Lawrence Berkeley National Laboratory
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Yang-hao Chan
- Lawrence Berkeley National Laboratory
- Lawrence Berkeley National Laboratory; University of California at Berkeley; Institute of Atomic and Molecular Sciences, Academia Sinica
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Steven G Louie
- University of California at Berkeley, and Lawrence Berkeley National Laboratory
- Physics Department, UC Berkeley and Lawrence Berkeley National Lab
- University of California Berkeley
- University of California, Berkeley
- University of California at Berkeley; Lawrence Berkeley National Laboratory
- University of California at Berkeley and Lawrence Berkeley National Laboratory
- UC berkeley
- University of California at Berkeley and Lawrence Berkeley National Lab
- UC Berkeley & Lawrence Berkeley National Laboratory
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Ab initio Green's function theory of polarons
ORAL
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Presenters
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Jon Lafuente-Bartolome
- University of Texas at Austin
Authors
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Jon Lafuente-Bartolome
- University of Texas at Austin
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Idoia G Gurtubay
- University of the Basque Country UPV/EHU
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Asier Eiguren
- University of the Basque Country UPV/EHU
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Feliciano Giustino
- University of Texas at Austin
- University of Texas
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Many-body Green's function analysis of the doped Fröhlich solid
ORAL
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Presenters
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Nikolaus M Kandolf
- University of Texas at Austin
Authors
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Nikolaus M Kandolf
- University of Texas at Austin
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Carla Verdi
- Univ of Vienna
- University of Vienna
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Feliciano Giustino
- University of Texas at Austin
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Phonon-assisted luminescence in qubits from many-body perturbation theory
ORAL
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Presenters
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Francesco Libbi
- Ecole Polytechnique Federale de Lausanne
Authors
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Francesco Libbi
- Ecole Polytechnique Federale de Lausanne
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Pedro M Melo
- Univ of Utrecht
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Zeila Zanolli
- Forschungszentrum Jülich GmbH
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Matthieu J Verstraete
- University of Liege
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Nicola Marzari
- Ecole Polytechnique Federale de Lausanne
- Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne
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Gaining an Atomistic Understanding of Auger Recombination in Crystalline Silicon
ORAL
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Presenters
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Kyle M Bushick
- University of Michigan
Authors
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Kyle M Bushick
- University of Michigan
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Emmanouil Kioupakis
- University of Michigan
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First-principles study of lattice and magnetic temperature effects on the optical properties of ferromagnetic BCC Fe
ORAL
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Presenters
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Kisung Kang
- University of Illinois at Urbana-Champaign
- University of Illinois at Urbana-Champai
Authors
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Kisung Kang
- University of Illinois at Urbana-Champaign
- University of Illinois at Urbana-Champai
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Andre Schleife
- University of Illinois at Urbana-Champai
- University of Illinois at Urbana-Champaign
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David G Cahill
- University of Illinois at Urbana-Champaign
- University of Illinois Urbana-Champaign
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Novel First-Principles Tools for Electron Dynamics in Quantum Materials and Devices
ORAL
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Presenters
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Marco Bernardi
- Department of Applied Physics and Materials Science, California Institute of Technology
- Caltech
- Department of Applied Physics and Materials Science, California Institute of Technology, Pasadena, CA 91125, USA
Authors
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Marco Bernardi
- Department of Applied Physics and Materials Science, California Institute of Technology
- Caltech
- Department of Applied Physics and Materials Science, California Institute of Technology, Pasadena, CA 91125, USA
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Ab initio electron dynamics in high electric fields: accurate predictions of velocity-field curves
ORAL
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Publication: I. Maliyov, J. Park, M. Bernardi, Phys. Rev. B (Letter) 104, L100303, 2021, DOI: 10.1103/PhysRevB.104.L100303
Presenters
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Ivan Maliyov
- Caltech
Authors
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Ivan Maliyov
- Caltech
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Jinsoo Park
- Department of Applied Physics and Materials Science, California Institute of Technology
- Caltech
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Marco Bernardi
- Department of Applied Physics and Materials Science, California Institute of Technology
- Caltech
- Department of Applied Physics and Materials Science, California Institute of Technology, Pasadena, CA 91125, USA
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Ultrafast dynamics of hot carriers in bulk semiconductors and in accumulation layer: energy transfer and screening effects.
ORAL
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Publication: 1. J. Sjakste et al, J. Phys: Cond. Mat. 30, 353001 (2018).
2 Tanimura, Kanasaki, Tanimura, Sjakste, Vast, Calandra, Mauri, Phys. Rev. B 93, 161203 (R) (2016).
3. Z. Chen, C. Giorgetti, J. Sjakste, et al. Phys. Rev. B 97, 241201(R) (2018).
4. Chen, Sjakste et al, PNAS 117, 21962-21967 (2020).Presenters
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Jelena Sjakste
- Laboratoire des Solides Irradiés, CEA/DRF/IRAMIS, École Polytechnique, CNRS, Institut Polytechnique de Paris, 91120 Palaiseau, France
- CNRS
Authors
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Jelena Sjakste
- Laboratoire des Solides Irradiés, CEA/DRF/IRAMIS, École Polytechnique, CNRS, Institut Polytechnique de Paris, 91120 Palaiseau, France
- CNRS
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Towards mixed quantum-classical simulations of nonequilibrium phenomena in bulk and low-dimensional materials
ORAL
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Publication: A. Krotz, J. Provazza, & R. Tempelaar, J. Chem. Phys., 154, 224101 (2021)
A. Krotz & R. Tempelaar, Submitted to J. Chem. Phys. (2021)Presenters
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Roel Tempelaar
- Northwestern University
Authors
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Roel Tempelaar
- Northwestern University
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Alex Krotz
- Northwestern University
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Justin Provazza
- Northwestern University
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First-principles calculations of electron-phonon interactions with GW corrections for localized defect states in monolayer WS<sub>2</sub> with a sulfur vacancy
ORAL
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Presenters
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Jun-Ho Lee
- University of California, Berkeley; Lawrence Berkeley National Laboratory
Authors
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Jun-Ho Lee
- University of California, Berkeley; Lawrence Berkeley National Laboratory
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Jonah B Haber
- University of California, Berkeley
- University of California, Berkeley; Lawrence Berkeley National Laboratory
- Department of Physics, University of California, Berkeley
- Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720.
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Jeffrey B Neaton
- Lawrence Berkeley National Laboratory
- University of California, Berkeley; Lawrence Berkeley National Laboratory; Kavli Energy NanoSciences Institute at Berkeley
- Department of Physics, University of California, Berkeley; Materials Sciences Division, Lawrence Berkeley National Laboratory; Kavli Energy NanoScience Institute at Berkeley
- Department of Physics, University of California, Berkeley, CA 94720; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720; Kavli Energy Nano
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