Excited State VI: Lattice and Spin Dynamics
FOCUS · W46 · ID: 47311
Presentations
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Molecular Dynamics Simulations of Lattice Thermal Conductivity with Machine-Learning Anharmonic Interaction
ORAL · Invited
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Presenters
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Mei-Yin Chou
- Institute of Atomic and Molecular Sciences, Academia Sinica, Taiwan
- Academia Sinica, Taiwan
- Academia Sinica
Authors
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Mei-Yin Chou
- Institute of Atomic and Molecular Sciences, Academia Sinica, Taiwan
- Academia Sinica, Taiwan
- Academia Sinica
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Finding Predictive Descriptors for Singlet Fission by Machine Learning
ORAL
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Presenters
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Siyu Gao
- Carnegie Mellon University
Authors
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Siyu Gao
- Carnegie Mellon University
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Time-resolved photoemission from a field-driven Holstein chain: A semi-classical Monte Carlo approach
ORAL
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Presenters
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Marko D Petrovic
- Georgetown University
Authors
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Marko D Petrovic
- Georgetown University
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Manuel Weber
- Max Planck Institute for the Physics of
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James K Freericks
- Georgetown University
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Exotic transport phenomena in quantum materials from ab initio
ORAL
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Publication: 1 U. Vool, et al., Nat. Phys. (2021)
2 G. Varnavides, et al., arXiv:2106.00697 (2021)
3 Y. Wang, et al., arXiv:2109.00550 (2021)Presenters
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Yaxian Wang
- Harvard University
Authors
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Yaxian Wang
- Harvard University
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Georgios Varnavides
- Massachusetts Institute of Technology MI
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Prineha Narang
- Harvard University
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Simulating THz field-induced ferroeletricity in quantum paraeletric SrTiO<sub>3</sub> by solving Schrodinger-Langevin equation
ORAL
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Publication: [1] Nova, T. F., Disa, A. S., Fechner, M. & Cavalleri, A. Metastable ferroelectricity in optically strained SrTiO3. Science 364, 1075–1079 (2019).
[2] Li, X. et al. Terahertz field–induced ferroelectricity in quantum paraelectric SrTiO3. Science 364, 1079–1082 (2019).
[3] Shin, D. et al. The quantum paraelectric phase of SrTiO$_3$ from first principles. Phys. Rev. B 104, L060103 (2021).
[4] Shin, D. et al. Simulating terahertz field-induced transient ferroeletricity in quantum paraelectric SrTiO$_3$. Arxiv:2106.03957 (2021).Presenters
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Dongbin Shin
- Max Planck Institute for the Structure &
Authors
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Dongbin Shin
- Max Planck Institute for the Structure &
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Angel Rubio
- Max Planck Institute for the Structure &
- Max Planck Institute for the Structure and Dynamics of Matter, Hamburg Germany; Center for Computational Quantum Physics (CCQ), The Flatiron Institute, New York, USA
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Ultrafast Spin Dynamics and Photoinduced Insulator-to-Metal Transition in α-RuCl<sub>3</sub>
ORAL
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Presenters
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Jin Zhang
- Max Planck Institute for the Structure and Dynamics of Matter
- Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany.
Authors
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Jin Zhang
- Max Planck Institute for the Structure and Dynamics of Matter
- Max Planck Institute for the Structure and Dynamics of Matter, Hamburg, Germany.
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Ultrafast dynamics of chiral phonons in WSe<sub>2</sub> by first-principles lattice dynamics simulations
ORAL
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Publication: [1] X. Tong and M. Bernardi, "Toward precise simulations of the coupled ultrafast dynamics of electrons and atomic vibrations in materials." Physical Review Research 3.2 (2021): 023072.
Presenters
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Xiao Tong
- Caltech
Authors
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Xiao Tong
- 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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Calculating Phonons within the FLAPW Method using Density Functional Perturbation Theory (DFPT)
ORAL
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Presenters
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Christian-Roman Gerhorst
- Peter Grünberg Institute and Institute for Advance Simulation, Forschungszentrum Jülich and JARA
Authors
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Christian-Roman Gerhorst
- Peter Grünberg Institute and Institute for Advance Simulation, Forschungszentrum Jülich and JARA
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Alexander Neukirchen
- Peter Grünberg Institute and Institute for Advance Simulation, Forschungszentrum Jülich and JARA
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Daniel A Klüppelberg
- Peter Grünberg Institute and Institute for Advance Simulation, Forschungszentrum Jülich and JARA
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Markus Betzinger
- Peter Grünberg Institute and Institute for Advance Simulation, Forschungszentrum Jülich and JARA
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Gustav Bihlmayer
- Peter Grünberg Institute and Institute for Advance Simulation, Forschungszentrum Jülich and JARA
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Stefan Blügel
- Forschungszentrum, Jülich
- Peter Grünberg Institute and Institute for Advance Simulation, Forschungszentrum Jülich and JARA
- Forschungszentrum Jülich
- Forschungszentrum Jülich GmbH
- Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA
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Electron spin decoherence due to phonons: Unified many-body framework and first-principles calculations
ORAL
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Presenters
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Jinsoo Park
- Department of Applied Physics and Materials Science, California Institute of Technology
- Caltech
Authors
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Jinsoo Park
- Department of Applied Physics and Materials Science, California Institute of Technology
- Caltech
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Jin-Jian Zhou
- School of Physics, Beijing Institute of Technology
- 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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First-principles study of quasiparticle energies and optical excitations of 3C-SiC divacancy
ORAL
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Presenters
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Weiwei Gao
- Dalian University of Technology
Authors
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Weiwei Gao
- Dalian University of Technology
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Felipe H da Jornada
- Stanford Univ
- Stanford University
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Mauro Del Ben
- Lawrence Berkeley National Laboratory
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Jack R Deslippe
- Lawrence Berkeley National Laboratory
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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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James R Chelikowsky
- University of Texas at Austin
- Texas Center for Superconductivity and Department of Chemistry, University of Houston, Houston, TX 77204, USA
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Memory Function Representation for the Electrical Conductivity of Solids
ORAL
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Publication: arXiv:2110.02859 [cond-mat.mtrl-sci]
Presenters
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Brett Green
- Pennsylvania State University
Authors
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Brett Green
- Pennsylvania State University
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Santiago Rigamonti
- Humboldt University of Berlin
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Maria Troppenz
- Humboldt University of Berlin
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Claudia Draxl
- Humboldt University of Berlin
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Jorge O Sofo
- Pennsylvania State University
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Study of high temperature Be from first principles
ORAL
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Presenters
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Brian Robinson
- University of Illinois at Urbana-Champai
Authors
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Brian Robinson
- 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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Stephanie B Hansen
- Sandia National Laboratories
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Alina Kononov
- Sandia National Laboratories
- Sandia National Lab
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Andrew D Baczewski
- Sandia National Laboratories
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