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Disorder and Fluctuations in Chemical Physics II

FOCUS · D17 · ID: 1068030

Presentations

  • Understanding regulation of CaCO<sub>3 </sub>crystallization by de novo designed proteins through in situ imaging and spectroscopy

    ORAL · Invited

    –

    Publication: "Formation, Chemical Evolution, and Solidification of the Calcium (Bi)Carbonate Dense Liquid Phase" (Submitted).

    Presenters

    • James J De Yoreo

      Pacific Northwest National Laboratory, Pacific Northwest Natl Lab

    Authors

    • James J De Yoreo

      Pacific Northwest National Laboratory, Pacific Northwest Natl Lab

    • Biao Jin

      Pacific Northwest National Laboratory

    • Ying Chen

      Pacific Northwest National Laboratory

    • Harley Pyles

      University of Washington

    • Marcel Baer

      Pacific Northwest National Laboratory

    • Benjamin A Legg

      Pacific Northwest National Laboratory

    • Zheming Wang

      Pacific Northwest National Laboratory

    • Nancy Washton

      Pacific Northwest National Laboratory

    • Karl Mueller

      Pacific Northwest National Laboratory

    • David Baker

      University of Washington

    • Gregory K Schenter

      Pacific Northwest Natl Lab

    • Christopher J Mundy

      Pacific Northwest Natl Lab

    View abstract →

  • Probing Ca<sup>2+</sup> solvation dynamics at the electrolyte/electrode interface

    ORAL

    –

    Publication: APL Materials 9 (5) 050903 2021, <br>Energy & Environmental Materials, 4 (2), 222-228, 2021

    Presenters

    • Feipeng Yang

      Lawrence Berkeley National Laboratory

    Authors

    • Feipeng Yang

      Lawrence Berkeley National Laboratory

    • Yang Ha

      Lawrence Berkeley National Laboratory

    • Kun Qian

      University of Akron, The University of Akron

    • Scott A McClary

      Sandina National Laboratories

    • Mesfin Tsige

      University of Akron, The University of Akron

    • Kevin R Zavadil

      Sandia National Laboratories

    • Jinghua Guo

      Lawrence Berkeley National Laboratory

    View abstract →

  • A machine learning route to identify the shape of metal nanoparticles

    ORAL

    –

    Publication: Recognition of the three-dimensional structure of small metal nanoparticles by a supervised artificial neural network<br>Theoretical Chemistry Accounts 2021, 140(7). DOI:10.1007/s00214-021-02795-0

    Presenters

    • Franck Jolibois

      LPCNO - Université de Toulouse - UT3 - INSA - CNRS

    Authors

    • Franck Jolibois

      LPCNO - Université de Toulouse - UT3 - INSA - CNRS

    • Romuald Poteau

      LPCNO - Université de Toulouse - UT3 - INSA - CNRS

    • Timothée Fages

      LRGP - CNRS - Université de Lorraine

    View abstract →

  • Multi-step Nucleation in Supersaturated Salt Solutions Using Soft Matter Electrostatic Levitator with In-situ Scattering Techniques

    ORAL

    –

    Publication: S. Katamreddy, Y.C. Cho, S. Lee, G.W. Lee, and J. Lee, "Pre-nucleation Clusters and Complex Nucleation in Soft Matter and the Potential Roles of Space Experiments," International Journal of Microgravity Science and Application, 2022, v39, 390302.

    Presenters

    • Sai C Katamreddy

      Iowa State University

    Authors

    • John J Lee

      IOWA STATE UNIVERSITY

    • Sai C Katamreddy

      Iowa State University

    • Hyung-Cheol Lee

      Iowa State University, Iowa State University and Ames National Laboratory

    • Yong Chan Cho

      Korea Research Institute of Standards and Science

    • Sooheyong Lee

      Korea Research Institute of Standards and Science

    • Geun Woo Lee

      Korea Research Institute of Standards and Science

    • Chris Benmore

      Argonne National Laboratory

    • Matthias D Frontzek

      Oak Ridge National Lab

    • Lisa M DeBeer-Schmitt

      ORNL, Oak Ridge National Laboratory

    • Dante G Quirinale

      Oak Ridge National Laboratory

    • Takeshi Egami

      University of Tennessee

    View abstract →

  • Unifying atom-centered descriptions and message-passing machine learning schemes

    ORAL

    –

    Publication: J. Nigam, S. Pozdnyakov, G. Fraux, M. Ceriotti, JCP 156, 204115, 2022<br>J. Nigam, M. Willatt, M. Ceriotti, JCP 156, 014115, 2022

    Presenters

    • Jigyasa Nigam

      Ecole Polytechnique Federale de Lausanne

    Authors

    • Jigyasa Nigam

      Ecole Polytechnique Federale de Lausanne

    • Michele Ceriotti

      Ecole Polytechnique Federale de Lausanne

    View abstract →

  • Understanding Metal Ion Interactions in Solvents Using First-Principles and Machine Learning Interatomic Potentials

    ORAL

    –

    Publication: J. H. Yang*, C. Xie*, K. Bystrom, and B. Kozinsky. Understanding critical mineral interactions in solvents using first-principles and machine learning interatomic potentials. In preparation.

    Presenters

    • Julia H Yang

      Harvard University

    Authors

    • Julia H Yang

      Harvard University

    • Kyle Bystrom

      Harvard University

    • Boris Kozinsky

      Harvard University

    View abstract →