Recent Advances in Density Functional Theory VI
FOCUS · M1 ·
Presentations
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The derivative discontinuity of the exchange-correlation functional
COFFEE_KLATCH · Invited
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Authors
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Aron Cohen
- University of Cambridge
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Hohenberg-Kohn Theorem Including Electron Spin in the Presence of a Magnetostatic Field
ORAL
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Authors
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Viraht Sahni
- The Graduate School CUNY
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Xiao-Yin Pan
- Ningbo University, China
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Wigner High Electron Correlation Regime of Nonuniform Electron Density Systems: A Quantal Density Functional Theory (QDFT) Study
ORAL
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Authors
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Doug Achan
- The Graduate School CUNY
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Lou Massa
- The Graduate School CUNY
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Viraht Sahni
- The Graduate School CUNY
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Magnetic Orders of LaTiO$3$ and YTiO$3$ Under Epitaxial Strain: a First-Principles study
ORAL
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Authors
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Yakui Weng
- Southeast University
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Xin Huang
- Southeast University
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Yankun Tang
- Southeast University
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Shuai Dong
- Southeast University
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Testing the Standard Approach for Density-Functional Transport Calculations
ORAL
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Authors
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Justin Smith
- Department of Physics, University of California, Irvine
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Zhenfei Liu
- Molecular Foundry and Materials Sciences Division, Lawrence Berkeley National Laboratory
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Kieron Burke
- Department of Chemistry, University of California, Irvine
- Department of Chemistry, University of California, Irvine, CA 92697
- University of California - Irvine
- Department of Chemistry, University of California, Irvine, California 92697 USA
- Department of Chemistry, University of California Irvine
- Department of Physics and of Chemistry, University of California, Irvine, California 92697 USA
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Quantum oscillations in the kinetic energy density: Gradient corrections from the Airy gas
ORAL
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Authors
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Alexander Lindmaa
- Linkoping University, Department of Physics, Chemistry and Biology (IFM), Linkoping Sweden
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Ann E. Mattsson
- Sandia National Laboratories, Albuquerque, NM
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Rickard Armiento
- Department of Physics, Chemistry and Biology (IFM), Linkoping University, Sweden
- Linkoping University, Department of Physics, Chemistry and Biology (IFM), Linkoping Sweden
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Nuclear Quantum Effects in Liquid Water: A Highly Accurate \textit{ab initio} Path-Integral Molecular Dynamics Study
ORAL
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Authors
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Robert DiStasio
- Princeton University
- Princeton Univ
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Biswajit Santra
- Princeton University
- Princeton Univ
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Hsin-Yu Ko
- Princeton University
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Roberto Car
- Department of Chemistry, Princeton University
- Princeton University
- Princeton Univ
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Gutzwiller density functional theory for solid hydrogen calculations
ORAL
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Authors
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Jun Liu
- Ames Laboratory, DOE \& Iowa State University
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Yongxin Yao
- Ames Laboratory-U.S. DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa IA 50011, USA
- Ames Laboratory, DOE \& Iowa State University
- Ames laboratory--US DOE and Iowa state university
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Chen Liu
- Ames Laboratory, DOE \& Iowa State University
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Wencai Lu
- Qingdao University, PRC
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Cai-Zhuang Wang
- Ames Lab
- Ames Laboratory-U.S. Department of Energy, and Department of Physics and Astronomy, Iowa State University, Ames, Iowa, 50011, USA
- Ames Laboratory, DOE \& Iowa State University
- Iowa State University
- Ames laboratory--US DOE and Iowa State University
- Ames Laboratory
- Ames Laboratory - U.S. Department of Energy, Iowa State University
- Ames Lab, US DOE
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Kai-Ming Ho
- Ames Lab
- Ames Laboratory-U.S. Department of Energy, and Department of Physics and Astronomy, Iowa State University, Ames, Iowa, 50011, USA
- Ames Laboratory, DOE \& Iowa State University
- Iowa State University
- Ames Laboratory
- Ames Laboratory - U.S. Department of Energy, Iowa State University
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Understanding Machine-learned Density Functionals
ORAL
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Authors
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Li Li
- Department of Physics and Astronomy, University of California, Irvine
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John Snyder
- Department of Physics and Astronomy, University of California, Irvine
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Matthias Rupp
- Department of Chemistry, University of Basel
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Klaus-Robert M{\"u}ller
- Machine Learning Group, Technical University of Berlin
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Kieron Burke
- Department of Chemistry, University of California, Irvine
- Department of Chemistry, University of California, Irvine, CA 92697
- University of California - Irvine
- Department of Chemistry, University of California, Irvine, California 92697 USA
- Department of Chemistry, University of California Irvine
- Department of Physics and of Chemistry, University of California, Irvine, California 92697 USA
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ABSTRACT WITHDRAWN
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Exorcising Ghost Transmission from Electron Transport Calculations: Refighting Old Battles in New Contexts
ORAL
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Authors
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Matthew Reuter
- Northwestern University
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Robert Harrison
- Stony Brook University
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Green's functions in equilibrium and nonequilibrium from real-time bold-line Monte Carlo
ORAL
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Authors
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Guy Cohen
- Columbia University
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Emanuel Gull
- University of Michigan
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David R. Reichman
- Columbia University
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Andrew Millis
- Columbia University
- Department of Physics, Columbia University, New York, NY 10027, USA
- Department of Physics, Columbia University
- Columbia Univ
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