Focus Session: van der Waals Bonding in Advanced Materials: Molecular Systems and Interfaces
FOCUS · L16 ·
Presentations
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Effect of Substrate Chemistry on the Adsorption of Olympicene Radical: A vdW inclusive DFT study
ORAL
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Authors
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Jeronimo Matos
- University of Central Florida
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Handan Yildirim
- Purdue University School of Chemical Engineering
- Purdue University
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Abdelkader Kara
- University of Central Florida
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First Principles Investigation of the C3 Coefficients for Molecular Adsorption on Transition Metal Surfaces
ORAL
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Authors
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Abdelkader Kara
- University of Central Florida
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Jeronimo Matos
- University of Central Florida
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Handan Yildirim
- Purdue University School of Chemical Engineering
- Purdue University
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Phonon dispersion of acene molecular crystals using van der Waals-corrected density functional theory
ORAL
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Authors
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Florian Altvater
- University of California, Berkeley
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Tonatiuh Rangel
- Molecular Foundry, LBNL
- Lawrence Berkeley National Laboratory
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Jeffrey Neaton
- Univ of California - Berkeley
- Molecular Foundry, Lawrence Berkeley National Laboratory
- Physics Department, UC Berkeley \& Molecular Foundry, LBNL \& Kavli Energy NanoSciences Institute at Berkeley, Berkeley
- University of California at Berkeley
- University of California, Berkeley; Lawrence Berkeley National Laboratory
- Dept. of Physics, UC Berkeley
- Molecular Foundry, Lawrence Berkeley National Laboratory; Department of Physics, University of California-Berkeley
- University of California, Berkeley and Lawrence Berkeley National Lab
- Molecular Foundry, Lawrence Berkeley National Laboratory, and Department of Physics, UC-Berkeley
- Lawrence Berkeley National Laboratory
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Probing Molecule-Molecule Interactions Through Atomic Force Spectroscopy
ORAL
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Authors
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Andras Magyarkuti
- Department of Applied Physics and Applied Mathematics, Columbia University
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Colin Nuckolls
- Department of Chemistry, Columbia University
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Latha Venkataraman
- Department of Applied Physics and Applied Maths, Columbia University
- Columbia Univ
- Department of Applied Physics and Applied Mathematics, Columbia University
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Forces and Dynamics in Aromatic Overlayers on Metal Surfaces
ORAL
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Authors
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Shafat Mubin
- Pennsylvania State University
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Kristen Fichthorn
- Penn State University
- Pennsylvania State University
- Department of Chemical Engineering, Penn State University, University Park, PA 16802
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Quantifying molecule-surface interactions using AFM-based single-molecule manipulation
ORAL
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Authors
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F.S. Tautz
- Forschungszentrum Juelich GmbH, Germany
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C. Wagner
- Forschungszentrum Juelich GmbH, Germany
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R. Temirov
- Forschungszentrum Juelich GmbH, Germany
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N. Fournier
- Forschungszentrum Juelich GmbH, Germany
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M. Green
- Forschungszentrum Juelich GmbH, Germany
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T. Esat
- Forschungszentrum Juelich GmbH, Germany
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P. Leinen
- Forschungszentrum Juelich GmbH, Germany
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A. Groetsch
- Federal Institute for Occupational Safety and Health, Dortmund, Germany
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V.G. Ruiz
- Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany
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A. Tkatchenko
- Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany
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C. Li
- Max-Planck-Institut fuer Polymerforschung, Mainz, Germany
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K. Muellen
- Max-Planck-Institut fuer Polymerforschung, Mainz, Germany
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M. Rohlfing
- Universitaet Muenster, Germany
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Many-Body Dispersion Interactions in Molecular Materials
COFFEE_KLATCH · Invited
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Authors
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Robert A. DiStasio Jr.
- Princeton University
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Predicting Elastic Properties of $\beta$-HMX from First-principles Calculations
ORAL
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Authors
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Qing Peng
- Rensselaer Polytechnic Institute
- Department of Mechanical, Aerospace and Nuclear Engineering, Rensselaer Polytechnic Institute, USA
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- Rahul
- Rensselaer Polytechnic Institute
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Guangyu Wang
- University of Cincinnati
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Gui-Rong Liu
- University of Cincinnati
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Stefan Grimme
- Universitt Mnster
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Suvranu De
- Rensselaer Polytechnic Institute
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Quantitative bond energetics in atomic-scale junctions with significant van der Waals character
ORAL
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Authors
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Latha Venkataraman
- Department of Applied Physics and Applied Maths, Columbia University
- Columbia Univ
- Department of Applied Physics and Applied Mathematics, Columbia University
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Sriharsha Aradhya
- Columbia University, Applied Physics
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Mark Hybertsen
- CFN, Brookhaven National Labs,
- Center for Functional Nanomaterials, Brookhaven National Laboratory
- Brookhaven National Laboratory
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Charge transfer from first principles: self-consistent GW applied to donor-acceptor systems
ORAL
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Authors
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Fabio Caruso
- Fritz Haber Institute, Berlin
- University of Oxford
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Fabio Caruso
- University of Oxford
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Angel Rubio
- Universidad del Pa\'is Vasco, San Sebasti\'an, Spain
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Matthias Scheffler
- Fritz Haber Institute, Berlin
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Patrick Rinke
- Aalto University, Helsinki, Finland
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Van der Waals Interactions in Aspirin
ORAL
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Authors
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Anthony Reilly
- Cambridge Crystallographic Data Centre
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Alexandre Tkatchenko
- Fritz-Haber-Institut der MPG
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Determination of Surface-Substrate Adsorption Energy using the Exchange-Hole Dipole Moment
ORAL
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Authors
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Matthew Christian
- Univ of California - Merced
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Alberto Otero de la Roza
- National Institute for Nanotechnology
- National Institute for Nanotechnology-NRC
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Erin Johnson
- Univ of California - Merced
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Van der Waals Dispersion Interactions and Excited States of Oligoacene Molecular Crystals
ORAL
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Authors
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Tonatiuh Rangel
- Molecular Foundry, LBNL
- Lawrence Berkeley National Laboratory
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Sahar Sharifzadeh
- Molecular Foundry, LBNL
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Kristian Berland
- Chalmers University of Technology, Sweden
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Florian Altvater
- Molecular Foundry, LBNL; UC-Berkeley
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Kyuho Lee
- Molecular Foundry, LBNL
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Per Hyldgaard
- Chalmers University of Technology, Sweden
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Leeor Kronik
- Weizmann Institute of Science, Israel
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Jeffrey B. Neaton
- Molecular Foundry, LBNL; UC-Berkeley
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