First-Principles Modeling of Excited-State Phenomena I: Methodological Advances
FOCUS · E7 ·
Presentations
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Koopmans-compliant functionals as spectral theories: molecules, solids, and liquids
ORAL
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Authors
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Nicola Marzari
- Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL, Switzerland
- Theory and Simulations of Materials (THEOS), and National Center for Computational Design and Discovery of Novel Materials (MARVEL), EPFL, Switzerland
- THEOS, EPFL
- Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL
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Ngoc Linh Nguyen
- THEOS, EPFL
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Nicola Colonna
- Theory and Simulations of Materials (THEOS), and National Center for Computational Design and Discovery of Novel Materials (MARVEL), EPFL, Switzerland
- THEOS, EPFL
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Andrea Ferretti
- Centro S3, CNR Istituto Nanoscienze, I-41125 Modena, Italy
- S3 Center, Istituto Nanoscienze, CNR, Modena, Italy
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Screening and linear response in Koopmans-compliant functionals
ORAL
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Authors
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Nicola Colonna
- Theory and Simulations of Materials (THEOS), and National Center for Computational Design and Discovery of Novel Materials (MARVEL), EPFL, Switzerland
- THEOS, EPFL
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Ngoc Linh Nguyen
- Theory and Simulations of Materials (THEOS), and National Center for Computational Design and Discovery of Novel Materials (MARVEL), EPFL, Switzerland
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Andrea Ferretti
- Centro S3, CNR Istituto Nanoscienze, I-41125 Modena, Italy
- S3 Center, Istituto Nanoscienze, CNR, Modena, Italy
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Nicola Marzari
- Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL, Switzerland
- Theory and Simulations of Materials (THEOS), and National Center for Computational Design and Discovery of Novel Materials (MARVEL), EPFL, Switzerland
- THEOS, EPFL
- Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL
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Ultrafast phase transitions in advanced materials: review of some experiments and a new theoretical approach
ORAL
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Authors
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Roland Allen
- Texas A\&M University
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Ayman Abdullah-Smoot
- Texas A\&M University
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Michelle Gohlke
- Texas A\&M University
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David Lujan
- Texas A\&M University
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James Sharp
- Texas A\&M University
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Ross Tagaras
- Texas A\&M University
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A non-adiabatic exchange-correlation potential for strongly-correlated materials: local impurity approximation and beyond
ORAL
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Authors
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Volodymyr Turkowski
- University of Central Florida
- Department of Physics, University of Central Florida
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Shree Ram Acharya
- University of Central Florida
- Department of Physics, University of Central Florida
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Talat S. Rahman
- University of Central Florida
- Department of Physics, University of Central Florida
- Universtiy of Central Florida
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Quasiparticle spectra obtained through stochastic many-body methods
ORAL
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Authors
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Vojtech Vlcek
- Department of Chemistry and Biochemistry, University of California, Los Angeles, USA
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Roi Baer
- Fritz Haber Center for Molecular Dynamics, Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, Israel
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Eran Rabani
- Department of Chemistry, University of California and Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, USA
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Daniel Neuhauser
- Department of Chemistry and Biochemistry, University of California, Los Angeles, USA
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Temperature dependence of the one-electron Green's function within the cumulant formalism
ORAL
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Authors
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J. J. Kas
- U of Washington
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J. J. Rehr
- U of Washington
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A Many-Body Formalism of $\Delta$SCF Approach for Simulating X-Ray Spectra from First-Principles
ORAL
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Authors
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YUFENG LIANG
- The Molecular Foundry, Lawrence Berkeley National Laboratory (LBNL)
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John Vinson
- National Institute of Standards and Technology (NIST)
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Sri Pemmaraju
- The Molecular Foundry, Lawrence Berkeley National Laboratory (LBNL)
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Walter Drisdell
- Chemical Sciences Division, Lawrence Berkeley National Laboratory (LBNL)
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Eric Shirley
- National Institute of Standards and Technology (NIST)
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David Prendergast
- Lawrence Berkeley National Laboratory
- The Molecular Foundry, Lawrence Berkeley National Laboratory (LBNL)
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The Hubbard dimer: exact dynamic exchange-correlation kernel, single and double excitations of a strongly correlated problem
ORAL
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Authors
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Jaime Ferrer
- Departamento de Física, Universidad de Oviedo, Spain
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Diego Carrascal
- Departamento de Física, Universidad de Oviedo, Spain
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Neepa Maitra
- Hunter College of City University of New York
- Department of Physics, Hunter College, City University of New York, New York, NY 1006, USA
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Kieron Burke
- Departments of Physics and of Chemistry, UC Irvine
- Department of Chemistry and of Physics, University of California, Irvine, CA 92697, USA
- University of California Irvine
- University of California, Irvine
- Department of Chemistry and of Physics, University of California, Irvine
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Linked-cluster formulation of screened electron-hole interaction from explicitly-correlated geminal functions without using unoccupied states
ORAL
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Authors
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Arindam Chakraborty
- Syracuse Univ
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Michael Bayne
- Department of Chemistry, Syracuse Univ
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Connecting Interface Structure to Energy Level Alignment at Aqueous Semiconductor Interfaces
COFFEE_KLATCH · Invited
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Authors
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Mark Hybertsen
- Brookhaven National Laboratory
- Center for Functional Nanomaterials, Brookhaven National Laboratory, NY
- Center for Functional Nanomaterials, Brookhaven National Laboratory
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Reduced order polarizability method for large scale GW calculations
ORAL
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Authors
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Minjung Kim
- Department of Applied Physics, Yale University
- Yale University
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Subhasish Mandal
- Yale University
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Eric Mikida
- University of Illinois at Urbana-Champaign
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Kavitha Chandrasekar
- University of Illinois at Urbana-Champaign
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Eric Bohm
- University of Illinois at Urbana-Champaign
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Nikhil Jain
- University of Illinois at Urbana-Champaign
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Laxmikant Kale
- University of Illinois at Urbana-Champaign
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Glenn Martyna
- IBM T. J. Watson Research Center
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Sohrab Ismail-Beigi
- Yale University
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Constructing the GW self-energy of a point defect from the perfect crystal and the near neighborhood of the defect
ORAL
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Authors
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Dmitry Skachkov
- Case Western Reserve University, Cleveland, OH USA
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Mark van Schilfgaarde
- King's College
- Kings College London, London, United Kingdom
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Walter Lambrecht
- Case Western Reserve University
- Case Western Reserve Univ
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Spin-wave excitations and electron-magnon scattering from many-body perturbation theory
ORAL
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Authors
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Christoph Friedrich
- Peter Gruenberg Institute and Institute for Advanced Simulation, Forschungszentrum Juelich and JARA, 52425 Juelich, Germany
- Peter Gr\"unberg Institut and Institute for Advanced Simulation, Forschungszentrum J\"ulich and JARA, 52425 J\"ulich, Germany
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Mathias C. T. D. M\"uller
- Peter Gr\"unberg Institut and Institute for Advanced Simulation, Forschungszentrum J\"ulich and JARA, 52425 J\"ulich, Germany
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Stefan Bl\"ugel
- Forschungszentrum J\"{u}lich, Germany
- Forschungszentrum Juelich
- Peter Gr\"unberg Institut (PGI-1) and Institute for Advanced Simulation (IAS-1), Forschungszentrum J\"ulich and JARA, D-52425 J\"ulich, Germany
- Peter Gruenberg Institute and Institute for Advanced Simulation, Forschungszentrum Juelich and JARA, 52425 Juelich, Germany
- Peter Gr\"unberg Institut (PGI-1) and Institute for Advanced Simulation (IAS-1), Forschungszentrum J\"ulich and JARA
- Peter Gr\"unberg Institut and Institute for Advanced Simulation, Forschungszentrum J\"ulich and JARA, 52425 J\"ulich, Germany
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