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).
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
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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.
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, 2792–2800Presenters
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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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