V: Precision Many Body Physics
FOCUS · AA07 · ID: 1107767
Presentations
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Invited Talk: Baigeng Wang
ORAL · Invited
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Publication: 1. Rui Wang, Baigeng Wang, Tigran Sedrakyan, Phys. Rev. B 105, 054404 (2022).<br>2. Rui Wang, Zhiyan Xie, Baigeng Wang, Tigran Sedrakyan, Phys. Rev. B 106, L121117 (2022). <br>3. Rui Wang, Baigeng Wang, Tigran Sedrakyan, Phys. Rev. B 98, 064402 (2018).<br>4. Tao Yang, Banming Wang, Peng Song, Rui Wang, Baigeng Wang, Fermionic interpretation of the quantum phase transition in XXZ magnets, accepted by PRB.<br>5. Rui Wang, Yilin Wang, Y. X. Zhao, Baigeng Wang, Phys. Rev. Lett. 127, 237202 (2021).
Presenters
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Baigeng Wang
Nanjing Univ
Authors
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Baigeng Wang
Nanjing Univ
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An automatic, high-order, adaptive algorithm for Brillouin zone integration
ORAL
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Presenters
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Jason Kaye
Flatiron Institute
Authors
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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
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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
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Sean J O'Connor
Honeywell FM&T
Authors
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Sean J O'Connor
Honeywell FM&T
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Volker Eyert
Materials Design, Inc.
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Jörg-Rüdiger Hill
Materials Design, Inc.
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David Reith
Materials Design, Inc.
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Erich Wimmer
Materials Design, Inc
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Patrick R Thomas
Department of Energy - US
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Paul Rulis
University of Missouri - Kansas City
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Theory of Electric Enthalpy of Formation in Electrified Interfaces
ORAL
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Presenters
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Ryong Gyu Lee
Korea Advanced Institute of Science and Technology
Authors
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Ryong Gyu Lee
Korea Advanced Institute of Science and Technology
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Juho Lee
Korea Adv Inst of Sci & Tech
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Hyeonwoo Yeo
Korea Advanced Institute of Science and Technology
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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
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Presenters
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Fabrice Roncoroni
Lawrence Berkeley National Laboratory, Lawrence Berkeley National lab
Authors
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Fabrice Roncoroni
Lawrence Berkeley National Laboratory, Lawrence Berkeley National lab
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David Prendergast
Lawrence Berkeley National Laboratory
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Dimers and solvent layering determine electrochemically relevant species at electrolyte interfaces in Ca/BH<sub>4</sub>/THF
ORAL
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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. <br><br>Roncoroni, F.; Sanz-Matias, A.; Sundararaman, Prendergast, D. 'An unsupervised data mining methodology for analysis of molecular dynamics sampling of local coordination' , in preparation. <br><br>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
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Ana Sanz Matias
Lawrence Berkeley National Laboratory
Authors
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Ana Sanz Matias
Lawrence Berkeley National Laboratory
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First-principles study of water molecules at the electrified graphene surface
ORAL
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Presenters
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Hyeonwoo Yeo
Korea Advanced Institute of Science and Technology
Authors
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Hyeonwoo Yeo
Korea Advanced Institute of Science and Technology
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Juho Lee
Korea Adv Inst of Sci & Tech
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Ryong Gyu Lee
Korea Advanced Institute of Science and Technology
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Seunghyun Yu
Korea Advanced Institute of Science and Technology
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Yong-Hoon Kim
Korea Advanced Institute of Science and Technology, Korea Adv Inst of Sci & Tech
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