V: Computational Physics II
FOCUS · CC04 · ID: 2155708
Presentations
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Anomalous Underscreening in Electrolytes and Ionic Liquids
ORAL · Invited
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Publication: A. Härtel, M. Bültmann, and F. Coupette. Anomalous Underscreening in the Restricted Primitive Model.
Physical Review Letters 130:108202, 2023. doi:10.1103/PhysRevLett.130.108202.Presenters
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Andreas Härtel
University of Freiburg
Authors
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Andreas Härtel
University of Freiburg
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Investigating Light Emission Efficiency of W(CO)_6 Complexes: Analysis with bpy Ligand Variations
ORAL
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Presenters
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KAMRUN NAHAR KEYA
Iowa State University
Authors
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KAMRUN NAHAR KEYA
Iowa State University
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Wenjie Xia
Iowa State University
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Bakhtiyor Rasulev
North Dakota State University
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Svetlana Kilina
North Dakota State University
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Wenfang Sun
University of Alabama, Tuscaloosa, University of Alabama
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Dmitri Kilin
North Dakota State University
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Local field corrections to the retarded cumulant Green's function
ORAL
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Presenters
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John J Rehr
University of Washington
Authors
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John J Rehr
University of Washington
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Joshua J Kas
University of Washington
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Revisiting Scaling Assumptions of Ab-Initio Calculations
ORAL
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Publication: 1. On Scaling Derivatives in Machine Learned Force Fields (to be published), J. Comp. Phys.
2. Dispelling myths of ab-inito scaling (to be published) J. Comp. Chem.Presenters
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Rohit Goswami
Science Institute, University of Iceland & Quansight Labs,TX
Authors
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Rohit Goswami
Science Institute, University of Iceland & Quansight Labs,TX
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RT-EOM-CCSD Inner and Outer Valence Ionization Energies
ORAL
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Presenters
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Fernando D Vila
University of Washington
Authors
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Fernando D Vila
University of Washington
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John J Rehr
University of Washington
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Karol Kowalski
Pacific Northwest National Laboratory
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Bo Peng
Pacific Northwest National Laboratory
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First principles studies of the electronic and optical properties of two-dimensional arsenic-phosphorous (2D-As-P) compounds
ORAL
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Publication: First principles studies of the electronic and optical properties of two-dimensional arsenic-phosphorous (2D-As-P) compounds
Presenters
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Jose Mario Galicia Hernandez
Universidad Nacional Autonoma de Mexico UNAM
Authors
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Jose Mario Galicia Hernandez
Universidad Nacional Autonoma de Mexico UNAM
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Jonathan Guerrero-Sanchez
UNAM, Centro de Nanociencias y Nanotecnología, Centro de Nanociencias y Nanotecnología, Universidad Nacional Autónoma de México, Universidad Nacional Autónoma de México, Centro de Nanociencias y Nanotecnologia UNAM, CNYN, Universidad Nacional Autonoma de Mexico
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Rodrigo Ponce-Perez
UNAM, Centro de Nanociencias y Nanotecnología, Universidad Nacional Autónoma de México, CNYN, Universidad Nacional Autonoma de Mexico
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Noboru Takeuchi
Centro de Nanociencias y Nanotecnología, Centro de Nanociencias y Nanotecnologia UNAM
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Impact of Mechanical Deformation on Phonon Hydrodynamics in Two-Dimensional Materials
ORAL
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Presenters
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Jamal A Abou Haibeh
McGill University
Authors
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Jamal A Abou Haibeh
McGill University
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Samuel Huberman
McGill University
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First-principles Wigner formulation of coupled radiative and conductive heat transfer
ORAL
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Presenters
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Michele Simoncelli
University of Cambridge, TCM Group, Cavendish Laboratory, University of Cambridge
Authors
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Barnabé Ledoux
TCM group, Cavendish Laboratory, University of Cambridge
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Mike C Payne
University of Cambridge, TCM group, Cavendish Laboratory, University of Cambridge
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Michele Simoncelli
University of Cambridge, TCM Group, Cavendish Laboratory, University of Cambridge
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