Aqueous Solutions, Solvated Interfaces, and Ionic Polarization I
FOCUS · K16 ·
Presentations
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Non-equilibrium efects at solvated interfaces under an applied external bias
Invited
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Presenters
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Alexandre Rocha
- Instituto de Fisica Teorica, State University of Sao Paulo, Brazil
- Universidade Estadual Paulista
Authors
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Alexandre Rocha
- Instituto de Fisica Teorica, State University of Sao Paulo, Brazil
- Universidade Estadual Paulista
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Luana Pedroza
- Universidade Federal do ABC, Brazil
- Centro de Ciencias Naturais e Humanas, Universidade Federal do ABC, Brazil
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Pedro B. Mendonça
- Centro de Física de Materiales, Donostia, Spain
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Marivi Fernandez Serra
- Stony Brook University
- Department of Physics and Astronomy, Institute for Advance Computational Science, Stony Brook University
- Department of Physics and Astronomy, and Institute for Advanced Computational Science, Stony Brook University
- Department of Physics and Astronomy, Stony Brook Univerysity, U.S.A.
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Toward first-principles modelling of charged solid-electrolyte interfaces
ORAL
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Presenters
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Chao Zhang
- Department of Chemistry - Ångström Laboratory, Uppsala University
Authors
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Chao Zhang
- Department of Chemistry - Ångström Laboratory, Uppsala University
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Michiel Sprik
- Department of Chemistry, Cambridge University
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First-principles modeling of electrochemical reactions at the metal-water interface under applied voltages
ORAL
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Presenters
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Sudarsan Surendralal
- Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH
Authors
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Sudarsan Surendralal
- Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH
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Mira Todorova
- Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH
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Michael W Finnis
- Thomas Young Center, Imperial College London
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Jörg Neugebauer
- Max Planck Institute for Iron Research GmbH
- Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH
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DFT Characterization of Solvated NaCl Potentials of Mean Force and Energetics
ORAL
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Presenters
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Alec Wills
- Stony Brook University
Authors
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Alec Wills
- Stony Brook University
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Sebastian Dick
- Stony Brook University
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Marivi Fernandez Serra
- Stony Brook University
- Department of Physics and Astronomy, Institute for Advance Computational Science, Stony Brook University
- Department of Physics and Astronomy, and Institute for Advanced Computational Science, Stony Brook University
- Department of Physics and Astronomy, Stony Brook Univerysity, U.S.A.
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Energetics of the adsorption of iodide ion at the air-water interface
ORAL
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Presenters
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Yanbin Wang
- University of Maryland, College Park
Authors
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Yanbin Wang
- University of Maryland, College Park
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Parth Rakesh Desai
- University of Maryland, College Park
- Department of Mechanical Engineering, University of Maryland, College Park
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Siddhartha Das
- University of Maryland, College Park
- Department of Mechanical Engineering, University of Maryland, College Park
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First-principles based quantification of charged species redistribution at electrochemical interfaces: Model system of zirconium oxide
ORAL
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Presenters
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Jing Yang
- Massachusetts Institute of Technology
Authors
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Jing Yang
- Massachusetts Institute of Technology
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Mostafa Youssef
- Massachusetts Institute of Technology
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Bilge Yildiz
- Departments of Nuclear Sci. and Eng., and Materials Sci. and Eng., Massachusetts Institute of Technology
- Massachusetts Institute of Technology
- Nuclear Science and Engineering, Massachusetts Institute of Technology
- MIT
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Polarization induced ion adsorption on aqueous interfaces: Solvent effect on image charge interactions
ORAL
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Presenters
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Chang Yun Son
- Caltech
Authors
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Chang Yun Son
- Caltech
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Zhen-Gang Wang
- California Institute of Technology
- Caltech
- Chemistry and Chemical Engineering, Caltech
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Intercalation behavior of MXenes from ab initio molecular dynamics
ORAL
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Presenters
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Paul Kent
- Oak Ridge National Laboratory
- Center for Nanophase Materials Sciences, Oak Ridge National Laboratory
- Center for Nanophase Materials and Sciences, Oak Ridge National Laboratory
Authors
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Paul Kent
- Oak Ridge National Laboratory
- Center for Nanophase Materials Sciences, Oak Ridge National Laboratory
- Center for Nanophase Materials and Sciences, Oak Ridge National Laboratory
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Weiwei Sun
- Oak Ridge National Laboratory
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Detection of Amino Acids and Other Biochemical Molecules with GaAs Schottky Diodes
ORAL
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Presenters
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T. Alkhidir
- ECE, KUST
Authors
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T. Alkhidir
- ECE, KUST
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C. Alpha
- CNF, Cornell
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D. L. Gater
- Chemistry, KUST
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M. Abi-Jaoude
- Chemistry, KUST
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A. F. Isakovic
- KUST
- Physics, KUST, Cornell Univ.
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Polarizability, Infrared and Raman Spectra of Water from First-Principles Simulations Using Recent Exchange-Correlation Functionals
ORAL
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Presenters
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Michael D LaCount
- University of California, Davis
Authors
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Michael D LaCount
- University of California, Davis
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Francois Gygi
- University of California, Davis
- Computer Science, University of California Davis
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ABSTRACT WITHDRAWN
COFFEE_KLATCH
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