First Principles Modeling of Excited-State Phenomena in Materials: Excited State Methods
FOCUS · S59 · ID: 2155720
Presentations
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First-principles modeling of excited states at finite temperatures: phonon-induced localization, dissociation and screening
ORAL · Invited
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Presenters
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Antonios M Alvertis
KBR, Inc, NASA Ames Research Center, Moffett Field, Californ, Lawrence Berkeley National Laboratory and NASA Ames Research Center, Lawrence Berkeley National Laboratory, KBR Inc, NASA Ames Research Center, Moffett Field, Materials Science Division, LBNL
Authors
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Antonios M Alvertis
KBR, Inc, NASA Ames Research Center, Moffett Field, Californ, Lawrence Berkeley National Laboratory and NASA Ames Research Center, Lawrence Berkeley National Laboratory, KBR Inc, NASA Ames Research Center, Moffett Field, Materials Science Division, LBNL
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Giant plexcitonic effects in small plasmonic nanoparticles from an ab initio GW-BSE approach
ORAL
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Publication: Giant plexcitonic effects in small plasmonic nanoparticles from an ab initio GW-BSE approach. In preparation.
Presenters
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Emma Simmerman
Stanford University
Authors
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Emma Simmerman
Stanford University
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Aaron R Altman
Stanford University
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Felipe H da Jornada
Stanford University
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Ab initio formalism for exciton-polaritons in two-dimensional materials
ORAL
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Presenters
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Christopher J Ciccarino
Stanford University
Authors
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Christopher J Ciccarino
Stanford University
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Zachary N Mauri
Stanford University
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Jonah B Haber
Stanford University, Lawrence Berkeley National Laboratory
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Diana Y Qiu
Yale University
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Felipe H da Jornada
Stanford University
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Optical properties of large systems
ORAL
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Presenters
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Ishita Shitut
Indian Institute of Science
Authors
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Ishita Shitut
Indian Institute of Science
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Manish Jain
Indian Institute of Science Bangalore
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Hulikal R Krishnamurthy
Indian Institute of Science Bangalore
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Time-dependent GW molecular dynamics for an accurate mechanistic description of the dynamics of chemical reactions
ORAL
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Publication: Manuscript under preparation
Presenters
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Aaditya Manjanath
National Institute for Materials Science
Authors
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Aaditya Manjanath
National Institute for Materials Science
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Ryoji Sahara
National Institute for Materials Science
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Kaoru Ohno
Yokohama National University
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Yoshiyuki Kawazoe
Tohoku University
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Abstract Withdrawn
ORAL Withdrawn
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Role of localization in optimal tuning: From monomers to polymers.
ORAL
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Presenters
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Guy Ohad
Weizmann Institute of Science
Authors
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Guy Ohad
Weizmann Institute of Science
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Michal Hartstein
Weizmann Institute of Science
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Tim Gould
Griffith University
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Jeffrey B Neaton
Lawrence Berkeley National Laboratory and UC-Berkeley
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Leeor Kronik
Weizmann Institute of Science
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Non-empirical prediction of electronic and optical properties of van der Waals materials from a Wannier-localized Optimally Tuned Screened Range-Separated Hybrid functional
ORAL
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Presenters
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Maria Camarasa Gomez
Weizmann Institute of Science
Authors
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Maria Camarasa Gomez
Weizmann Institute of Science
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Stephen E Gant
University of California, Berkeley
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Guy Ohad
Weizmann Institute of Science
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Jeffrey B Neaton
Lawrence Berkeley National Laboratory and UC-Berkeley
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Ashwin Ramasubramaniam
University of Massachusetts Amherst
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Leeor Kronik
Weizmann Institute of Science
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Circular Photogalvanic Effect in Complex Solids from First Principles
ORAL
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Presenters
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Andrew Grieder
University of Wisconsin Madison
Authors
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Andrew Grieder
University of Wisconsin Madison
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Ravishankar Sundararaman
Rensselaer Polytechnic Institute
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Yuan Ping
University of Wisconsin - Madison, University of Wisconsin Madison, University of Wisconsin-Madison
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Enhancing Excited State Characterization in Transition Metal Oxides Through Advanced Wavefunction Methods
ORAL
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Presenters
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Anouar Benali
Argonne National Laboratory
Authors
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Anouar Benali
Argonne National Laboratory
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kevin gasperich
Argonne National Laboratory
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Jaron T Krogel
Oak Ridge National Lab
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Cody A Melton
Sandia National Laboratories
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Raymond C Clay
Sandia National Laboratories
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joshua P townsend
Sandia National Laboratories
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Amanda E Dumi
Sandia National Laboratories
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Luke N Shulenburger
Sandia National Laboratories
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Temperature dependent linear and nonlinear optical properties of SrTiO<sub>3 </sub>from first-principles
ORAL
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Presenters
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Junehu Park
University of Illinois, Urbana-Champaign
Authors
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Junehu Park
University of Illinois, Urbana-Champaign
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Vijaya Begum-Hudde
University of Illinois at Urbana-Champaign
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Andri Darmawan
University of Duisburg-Essen
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Manish Verma
University of Duisburg-Essen
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Markus E Gruner
University of Duisburg-Essen
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Rossitza Pentcheva
University of Duisburg-Essen
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Andre Schleife
University of Illinois at Urbana-Champaign
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Quantum embedding theories for electron-boson coupled systems
ORAL
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Presenters
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Zhihao Cui
Columbia University
Authors
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Zhihao Cui
Columbia University
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David Reichman
Columbia University
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Non-perturbative mass renormalization effects in non-relativistic quantum electrodynamics
ORAL
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Publication: D. M. Welakuh et al., Non-perturbative mass renormalization effects in non-relativistic quantum electrodynamics.' arXiv:2310.03213 (2023)
Presenters
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Davis M Welakuh
New York University
Authors
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Davis M Welakuh
New York University
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Vasil Rokaj
Harvard University
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Michael Ruggenthaler
Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Institute
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Angel Rubio
Max Planck Institute for the Structure & Dynamics of Matter, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Institute for the Structure &, Max Planck Institute for the Structure & Dynamics of Matter; Center for Computational Quantum Physics, Flatiron Institute, Center for Computational Quantum Physics, Flatiron Institute, Max Planck Institute for the Structure and Dynamics of Matter - Flatiron Institute, Max Planck Institute for Structure and Dynamics of Matter
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