V: Precision Many Body Physics

Presentations

• Invited Talk: Baigeng Wang

  ORAL · Invited

  March 20, 2023, 5:00 AM – March 20, 2023, 5:36 AM

  Publication: 1. Rui Wang, Baigeng Wang, Tigran Sedrakyan, Phys. Rev. B 105, 054404 (2022).
  2. Rui Wang, Zhiyan Xie, Baigeng Wang, Tigran Sedrakyan, Phys. Rev. B 106, L121117 (2022).
  3. Rui Wang, Baigeng Wang, Tigran Sedrakyan, Phys. Rev. B 98, 064402 (2018).
  4. Tao Yang, Banming Wang, Peng Song, Rui Wang, Baigeng Wang, Fermionic interpretation of the quantum phase transition in XXZ magnets, accepted by PRB.
  5. Rui Wang, Yilin Wang, Y. X. Zhao, Baigeng Wang, Phys. Rev. Lett. 127, 237202 (2021).

  Presenters

  • Baigeng Wang

    • Nanjing Univ

  Authors

  • Baigeng Wang

    • Nanjing Univ

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• An automatic, high-order, adaptive algorithm for Brillouin zone integration

  ORAL

  March 20, 2023, 5:36 AM – March 20, 2023, 5:48 AM

  Presenters

  • Jason Kaye

    • Flatiron Institute

  Authors

  • Jason Kaye

    • Flatiron Institute

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• A New Machine Learned Interatomic Potential for Simulating the Effect of Alloying Content on the Alpha-Beta Transition Range of Ti-Al-V

  ORAL

  March 20, 2023, 5:48 AM – March 20, 2023, 6:00 AM

  Publication: Current paper is in work to introduce the new machine learned potential for Ti64 and demonstrate its ability to simulate the alpha-to-beta phase transition as a function of alloying content.

  Presenters

  • Sean J O'Connor

    • Honeywell FM&T

  Authors

  • Sean J O'Connor

    • Honeywell FM&T

  • Volker Eyert

    • Materials Design, Inc.

  • Jörg-Rüdiger Hill

    • Materials Design, Inc.

  • David Reith

    • Materials Design, Inc.

  • Erich Wimmer

    • Materials Design, Inc

  • Patrick R Thomas

    • Department of Energy - US

  • Paul Rulis

    • University of Missouri - Kansas City

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• Theory of Electric Enthalpy of Formation in Electrified Interfaces

  ORAL

  March 20, 2023, 6:00 AM – March 20, 2023, 6:12 AM

  Presenters

  • Ryong Gyu Lee

    • Korea Advanced Institute of Science and Technology

  Authors

  • Ryong Gyu Lee

    • Korea Advanced Institute of Science and Technology

  • Juho Lee

    • Korea Adv Inst of Sci & Tech

  • Hyeonwoo Yeo

    • Korea Advanced Institute of Science and Technology

  • Yong-Hoon Kim

    • Korea Advanced Institute of Science and Technology
    • Korea Adv Inst of Sci & Tech

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• Combined Nudged-Elastic-Band and Constrained DFT calculations of ion transport at an electrified interface

  ORAL

  March 20, 2023, 6:12 AM – March 20, 2023, 6:24 AM

  Presenters

  • Fabrice Roncoroni

    • Lawrence Berkeley National Laboratory
    • Lawrence Berkeley National lab

  Authors

  • Fabrice Roncoroni

    • Lawrence Berkeley National Laboratory
    • Lawrence Berkeley National lab

  • David Prendergast

    • Lawrence Berkeley National Laboratory

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• Dimers and solvent layering determine electrochemically relevant species at electrolyte interfaces in Ca/BH₄/THF

  ORAL

  March 20, 2023, 6:24 AM – March 20, 2023, 6:36 AM

  Publication: Sanz-Matias, A.; Roncoroni, F.; Sundararaman, S.; Hahn, N.; Zavadil, K., Prendergast, D. 'Dimers and solvent layering determine electrochemically relevant species at electrolyte interfaces in Ca/BH4/THF', in preparation.
  
  Roncoroni, F.; Sanz-Matias, A.; Sundararaman, Prendergast, D. 'An unsupervised data mining methodology for analysis of molecular dynamics sampling of local coordination' , in preparation.
  
  Scott A McClary, Daniel M Long, Ana Sanz-Matias, Paul G Kotula, David Prendergast, Katherine L Jungjohann, Kevin R Zavadil. A Heterogeneous Oxide Enables Reversible Calcium Electrodeposition for a Calcium Battery. ACS Energy Lett. 2022, 7, 8, 2792–2800

  Presenters

  • Ana Sanz Matias

    • Lawrence Berkeley National Laboratory

  Authors

  • Ana Sanz Matias

    • Lawrence Berkeley National Laboratory

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• First-principles study of water molecules at the electrified graphene surface

  ORAL

  March 20, 2023, 6:36 AM – March 20, 2023, 6:48 AM

  Presenters

  • Hyeonwoo Yeo

    • Korea Advanced Institute of Science and Technology

  Authors

  • Hyeonwoo Yeo

    • Korea Advanced Institute of Science and Technology

  • Juho Lee

    • Korea Adv Inst of Sci & Tech

  • Ryong Gyu Lee

    • Korea Advanced Institute of Science and Technology

  • Seunghyun Yu

    • Korea Advanced Institute of Science and Technology

  • Yong-Hoon Kim

    • Korea Advanced Institute of Science and Technology
    • Korea Adv Inst of Sci & Tech

  View abstract →