Modeling the Electrochemical Interface I

Presentations

• Challenges in the first-principles description of electrochemical interfaces

  ORAL · Invited

  March 7, 2024, 12:30 PM – March 7, 2024, 1:06 PM

  Presenters

  • Axel Gross

    Ulm University

  Authors

  • Axel Gross

    Ulm University

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• ABSTRACT WITHDRAWN

  COFFEE_KLATCH

  March 7, 2024, 1:06 PM – March 7, 2024, 1:18 PM

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• Ca-dimers and solvent layering determine electrochemically active species in Ca(BH₄)₂ in THF

  ORAL

  March 7, 2024, 1:18 PM – March 7, 2024, 1:30 PM

  Publication: Ca-dimers and solvent layering determine electrochemically active species in Ca(BH4)2 in THF (submitted).

  Presenters

  • David Prendergast

    Lawrence Berkeley National Laboratory

  Authors

  • David Prendergast

    Lawrence Berkeley National Laboratory

  • Ana Sanz Matias

    Lawrence Berkeley National Laboratory

  • Fabrice Roncoroni

    Lawrence Berkeley National Laboratory

  • Siddharth Sundararaman

    Lawrence Berkeley National Laboratory

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• Proton transfer at the IrO₂-water interface from machine learning potentials

  ORAL

  March 7, 2024, 1:30 PM – March 7, 2024, 1:42 PM

  Presenters

  • Annabella Selloni

    Princeton University

  Authors

  • Annabella Selloni

    Princeton University

  • Abhinav S Raman

    Princeton University

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• Title of your abstract: Efficacy of non-metallic cations in electrochemical CO2 reduction on Bi(111) electrode: a first principles study.

  ORAL

  March 7, 2024, 1:42 PM – March 7, 2024, 1:54 PM

  Presenters

  • Theodoros Panagiotakopoulos

    University of Central Florida

  Authors

  • Theodoros Panagiotakopoulos

    University of Central Florida

  • Duy Le

    Univeristy of Central Florida, University of Central Florida

  • Talat S Rahman

    University of Central Florida

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• Electrified Gold/Ice interface

  ORAL

  March 7, 2024, 1:54 PM – March 7, 2024, 2:06 PM

  Presenters

  • Luana Pedroza

    Universidade de São Paulo - Brazil, Universidade Federal do ABC - Brazil

  Authors

  • Luana Pedroza

    Universidade de São Paulo - Brazil, Universidade Federal do ABC - Brazil

  • Graciele Arvelos

    Universlty Federal do ABC, Instituto de Fisica Teorica - UNESP

  • Alexandre R. Rocha

    Instituto de Fisica Teorica - UNESP

  • Anthony Mannino

    Stony Brook University (SUNY)

  • Marivi Fernandez-Serra

    Stony Brook University

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• Surface Ferroelectricity in Au-Ice Capacitors

  ORAL

  March 7, 2024, 2:06 PM – March 7, 2024, 2:18 PM

  Presenters

  • Anthony Mannino

    Stony Brook University (SUNY)

  Authors

  • Anthony Mannino

    Stony Brook University (SUNY)

  • Graciele Arvelos

    Universlty Federal do ABC, Instituto de Fisica Teorica - UNESP

  • Luana Pedroza

    Universidade de São Paulo - Brazil, Universidade Federal do ABC - Brazil

  • Marivi Fernandez-Serra

    Stony Brook University

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• Picking a Paradigm: Insight vs. Active Machine Learning for NaCl Solvation in Water

  ORAL

  March 7, 2024, 2:18 PM – March 7, 2024, 2:30 PM

  Presenters

  • Alec Wills

    Stony Brook University

  Authors

  • Alec Wills

    Stony Brook University

  • Marcio Sampaio

    Universidade Federal do ABC - Brazil

  • Helena Donaldson

    Stony Brook University

  • Luana Pedroza

    Universidade de São Paulo - Brazil, Universidade Federal do ABC - Brazil

  • Marivi Fernandez-Serra

    Stony Brook University

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• Screening of Point charges in dielectrics: Disentangling Coulombic from Entropic effects.

  ORAL

  March 7, 2024, 2:30 PM – March 7, 2024, 2:42 PM

  Presenters

  • Marivi Fernandez-Serra

    Stony Brook University

  Authors

  • Marivi Fernandez-Serra

    Stony Brook University

  • Alec Wills

    Stony Brook University

  • Anthony Mannino

    Stony Brook University (SUNY)

  • Jose M Soler

    Univ Autonoma de Madrid

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