Van Der Waals Interactions in Molecules, Materials, and Complex Environments II
FOCUS · B19 · ID: 381773
Presentations
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Polarizability and Image Potential States of Large Graphene Nanoflakes
Invited
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Presenters
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Kenneth Jordan
- Department of Chemistry, University of Pittsburgh
- University of Pittsburgh
Authors
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Kenneth Jordan
- Department of Chemistry, University of Pittsburgh
- University of Pittsburgh
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Multipole Polarizabilites of Positronium and Its Interaction with Atoms and Molecules
ORAL
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Presenters
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Jorge Charry Martínez
- University of Luxembourg Limpertsberg
Authors
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Jorge Charry Martínez
- University of Luxembourg Limpertsberg
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Matteo Barborini
- University of Luxembourg Limpertsberg
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Dmitry Fedorov
- University of Luxembourg
- University of Luxembourg Limpertsberg
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Alexandre Tkatchenko
- University of Luxembourg Limpertsberg
- University of Luxembourg
- Department of Physics and Materials Science, University of Luxembourg
- Univ Luxembourg
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Impact of Van der Waals interactions on structural and nonlinear optical properties of azobenzene switches
ORAL
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Presenters
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Carmelo Naim
- Donostia International Physics Center (DIPC); Kimika Fakultea, Euskal Herriko Unibertsitatea (UPV/EHU), San Sebastiàn, Euskadi (Spain) & Universitè de Bordeaux, Talence (Fran
Authors
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Carmelo Naim
- Donostia International Physics Center (DIPC); Kimika Fakultea, Euskal Herriko Unibertsitatea (UPV/EHU), San Sebastiàn, Euskadi (Spain) & Universitè de Bordeaux, Talence (Fran
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Frédéric Castet
- Institut des Sciences Moléculaires & Universitè de Bordeaux, Talence (France)
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Eduard Matito
- IKERBASQUE, Basque Foundation for Science, Bilbao & Donostia International Physics Center (DIPC), San Sebastían, Euskadi (Spain)
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Influence of Pore Size on the van der Waals Interaction in Two-Dimensional Molecules and Materials
ORAL
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Presenters
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Yan Yang
- Chemistry and Chemical Biology, Cornell University
- Department of Chemistry and Chemical Biology, Cornell University
- Cornell University
Authors
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Yan Yang
- Chemistry and Chemical Biology, Cornell University
- Department of Chemistry and Chemical Biology, Cornell University
- Cornell University
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Ka Un Lao
- Cornell University
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Robert Distasio
- Chemistry and Chemical Biology, Cornell University
- Department of Chemistry and Chemical Biology, Cornell University
- Cornell University
- Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY
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Phase behavior and electronic properties of a conducting ferrimagnetic metal-organic framework from first principles
ORAL
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Presenters
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Alex Smith
- Physics, University of California, Berkeley
Authors
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Alex Smith
- Physics, University of California, Berkeley
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Mike Ziebel
- Chemistry, University of California, Berkeley
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Sebastian Reyes-Lillo
- Physics, Universidad Andres Bello
- Andres Bello University
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Adam Jaffe
- Chemistry, University of California, Berkeley
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Jeffrey Long
- Chemistry, University of California, Berkeley
- University of California, Berkeley
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Jeffrey Neaton
- Lawrence Berkeley National Laboratory
- Physics, University of California at Berkeley
- Physics, University of California, Berkeley
- University of California, Berkeley; Lawrence Berkeley National Lab; Kavli Energy NanoScience Institute at Berkeley
- Department of Physics, University of California Berkeley
- University of California, Berkeley
- Physics, University of California, Berkeley, and Materials Sciences Division, Lawrence Berkeley National Laboratory
- Molecular Foundry, Lawrence Berkeley National Laboratory
- University of California Berkeley
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Predicting CO adsorption on ZnO (10-10) and (11-20) surfaces using several van der Waals corrections to density functional theory
ORAL
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Presenters
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Kyle Stoltz
- Oklahoma State University-Stillwater
Authors
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Kyle Stoltz
- Oklahoma State University-Stillwater
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Mario Borunda
- Oklahoma State University-Stillwater
- Oklahoma State University
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Van der Waals density functional study of binding and separation of hydrocarbons in metal organic frameworks without open metal sites
ORAL
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Presenters
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Timothy Quainoo
- Wayne State University
Authors
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Timothy Quainoo
- Wayne State University
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Sydney N Lavan
- Wayne State University
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Zhenfei Liu
- Department of Chemistry, Wayne State University
- Wayne State University
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Toward a General Non-Local Polarizability Density Functional for van der Waals Dispersion Interactions
ORAL
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Presenters
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Szabolcs Góger
- University of Luxembourg
Authors
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Szabolcs Góger
- University of Luxembourg
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Péter Szabó
- University of Luxembourg
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Dmitry Fedorov
- University of Luxembourg
- University of Luxembourg Limpertsberg
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Alexandre Tkatchenko
- University of Luxembourg Limpertsberg
- University of Luxembourg
- Department of Physics and Materials Science, University of Luxembourg
- Univ Luxembourg
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van der Waals Interactions in Confined Spaces: Surprises Beyond the Random-Phase Approximation
ORAL
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Presenters
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Yasmine S. Al-Hamdani
- University of Zurich, Switzerland
Authors
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Martin Stoehr
- University of Luxembourg
- Department of Physics and Materials Science, University of Luxembourg
- University of Luxembourg Limpertsberg
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Mainak Sadhukhan
- Indian Institute of Technology Kanpur, India
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Yasmine S. Al-Hamdani
- University of Zurich, Switzerland
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Jan Hermann
- Freie Universität Berlin
- Freie Universität Berlin, Germany
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Alexandre Tkatchenko
- University of Luxembourg Limpertsberg
- University of Luxembourg
- Department of Physics and Materials Science, University of Luxembourg
- Univ Luxembourg
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Benchmark of DFT Functionals for the Interlayer Binding Energy of Bulk CrI3: A fixed-node quantum Monte Carlo study
ORAL
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Presenters
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Fernando A Reboredo
- Oak Ridge National Lab
Authors
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Tom Ichibha
- Oak Ridge National Lab
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Jaron Krogel
- Oak Ridge National Lab
- Oak Ridge National Laboratory
- Materials Science and Technology, Oak Ridge National Laboratory
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Fernando A Reboredo
- Oak Ridge National Lab
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The measurement of van der Waals forces between two-dimensional materials and multilayer stacks in air and water
Invited
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Presenters
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Pavlo Gordiichuk
- Massachusetts Institute of Technology MIT
Authors
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Pavlo Gordiichuk
- Massachusetts Institute of Technology MIT
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