DCP Plyler and Jankunis Prize Session
FOCUS · F53 ·
Presentations
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Earle K. Plyler Prize for Molecular Spectroscopy & Dynamics: Photochemistry of Phenol: A Full-Dimensional Semiclassical Simulation
COFFEE_KLATCH · Invited
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Authors
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Donald Truhlar
- University of Minnesota
- University of Minnesota, Minneapolis, MN
- University of Minnesot
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Jankunas Doctoral Dissertation Award: Attosecond science with recolliding electrons
COFFEE_KLATCH · Invited
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Authors
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Peter Kraus
- University of California, Berkeley
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Multi-Configuration Pair-Density Functional Theory
COFFEE_KLATCH · Invited
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Authors
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Laura Gagliardi
- Department of Chemistry, University of Minnesota
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MN15-L and MN-15: New Kohn-Sham Density Functionals with Board Accuracy for Main-Group and Transition Metal Chemistry and Noncovalent Interactions
ORAL
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Authors
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Haoyu Yu
- Department of Chemistry, University of Minnesota
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Xiao He
- East China Normal University
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Donald Truhlar
- University of Minnesota
- University of Minnesota, Minneapolis, MN
- University of Minnesot
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Density functionals from deep learning
ORAL
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Authors
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Jeffrey McMahon
- Department of Physics and Astronomy, Washington State University
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Enhancing Linear-Scaling DFT for Extended Systems via a QM/QM Fragment Approach
ORAL
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Authors
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Laura Ratcliff
- Argonne National Laboratory
- Argonne Leadership Computing Facility
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Luigi Genovese
- CEA Grenoble
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Stephan Mohr
- Barcelona Supercomputing Center
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Thierry Deutsch
- CEA Grenoble
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Complex wet-environments in electronic-structure calculations
ORAL
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Authors
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Giuseppe Fisicaro
- University of Basel
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Luigi Genovese
- Commissariat à l'Énergie Atomique et aux Énergies Alternatives
- Laboratoire de simulation atomistique (L-Sim), SP2M, INAC, CEA-UJF
- CEA Grenoble
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Oliviero Andreussi
- Institute of Computational Science, Universit\'{a} della Svizzera Italiana \& THEOS-MARVEL \'{E}cole Polytechnique F\'{e}d\'{e}rale de Lausanne
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Nicola Marzari
- Ecole Polytechnique Federale de Lausanne, Switzerland
- Ecole Polytechnique Federale de Lausanne (EPFL)
- Theory and Simulations of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), EPFL
- THEOS-MARVEL \'{E}cole Polytechnique F\'{e}d\'{e}rale de Lausanne
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Stefan Goedecker
- Department of Physics, University of Basel, Klingelbergstrasse 82, CH-4056 Basel, Switzerland
- Basel University
- Max-Planck Institut für Microstrukture Physics
- University of Basel
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Investigating the Self-assembled Structure of Polycyclic Aromatic Hydrocarbons Using Two Dimensional Infrared Spectroscopy
ORAL
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Authors
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Jenee D. Cyran
- Max Planck Institute of Polymer Research
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Amber T. Krummel
- Colorado State University
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Reversible electro-strain coupling in K-doped BaTiO$_3$
ORAL
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Authors
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Shi Liu
- Geophysical Laboratory, Carnegie Institution of Washington
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R. E. Cohen
- Carnegie Institution of Washington, Washington, DC, US, Department f\"ur Geo-und Umweltwissenchaften, Ludwig-Maximilians-Universitaet, Munich, Germany
- EMI, Geophysical Lab, Carnegie Inst; Dept. f\"ur Geo- und Umweltwissenschaften, Ludwig-Maximilians-Universitaet
- Carnegie Institution for Science, Washington, DC USA, Department f\"ur Geo- und Umweltwissenschaften, Ludwig-Maximilians-Universitaet, Munich, Germany
- Carnegie Inst for Science and LMU
- Geophysical Laboratory, Carnegie Institution of Washington and Department f\"ur Geo- und Umweltwissenschaften, Ludwig-Maximilians-Universitaet
- Extreme Materials Initiative, Carnegie institution for Science; Department fur Geo und Umweltwissenschaften, Ludwig-Maximilians-Universitaet, Germany
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