Recent Advances in Density Functional Theory V
FOCUS · L1 ·
Presentations
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Recent progress in density functional theory
COFFEE_KLATCH · Invited
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Authors
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Donald Truhlar
- Univ of Minn - Minneapolis
- Department of Chemistry and Supercomputing Institute, University of Minnesota
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Density-Decomposed Orbital-Free Density Functional Theory for Covalent Systems and Application to Li-Si alloys
ORAL
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Authors
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Junchao Xia
- Princeton Univ
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Emily Carter
- Princeton Univ
- Princeton University
- Department of Mechanical and Aerospace Engineering, Princeton University
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Density-Functional Theory of Thermal Transport
ORAL
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Authors
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F.G. Eich
- University of Missouri - Columbia
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A. Principi
- University of Missouri - Columbia
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M. Di Ventra
- University of California - San Diego
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G. Vignale
- University of Missouri - Columbia
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Accurate and systematically improvable quantum embedding methods for complex systems
ORAL
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Authors
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Jason Goodpaster
- California Institute of Technology
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Taylor Barnes
- California Institute of Technology
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Frederick Manby
- University of Bristol
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Thomas Miller
- California Institute of Technology
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Wavefunctions, Adiabatic Connections, and Universal Functionals for 1-Matrix Functional Theory
COFFEE_KLATCH · Invited
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Authors
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Paul Ayers
- McMaster University
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Semiclassical approach to the exchange energy from potential functional theory
ORAL
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Authors
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Attila Cangi
- Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle (Germany)
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Peter Elliott
- Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle (Germany)
- Max-Planck Institute for Microstructure Physics
- Max Planck Institute for Microstructure Physics
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Stefano Pittalis
- CNR-NANO S3, Via Campi 213A, I-41125 Modena, Italy
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E.K.U. Gross
- Max Planck Institute of Microstructure Physics
- Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle (Germany)
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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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Three- to two-dimensional crossover in time-dependent density-functional theory
ORAL
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Authors
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Shahrzad Karimi
- University of Missouri
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Carsten Ullrich
- University of Missouri Columbia
- University of Missouri
- University of Missouri -- Columbia
- University of Missouri - Columbia
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Stationary state Kohn-Sham Theory: Modern algorithms breathe new life into an old theory
ORAL
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Authors
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Deniz Gunceler
- Cornell University
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Ravishankar Sundararaman
- Cornell University
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T.A. Arias
- Cornell University
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Increasing the efficiency and accuracy of time-resolved electronic spectra calculations with on-the-fly ab initio quantum dynamics methods
ORAL
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Authors
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Jiri Vanicek
- Ecole Polytech Fed de Lausanne
- EPFL - Lausanne
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Exploring Nuclear Effects in the Dynamics of Nanomaterials with a Quantum Trajectory-Electronic Structure Approach
ORAL
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Authors
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Sophya Garashchuk
- University of South Carolina
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