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