Bulletin of the American Physical Society

APS March Meeting 2016

Volume 61, Number 2

Monday–Friday, March 14–18, 2016; Baltimore, Maryland

Session Index

Session Y22: Van der Waals Bonding in Advanced Materials: Methods

Focus

Show Abstracts

Sponsoring Units: DMP
Chair: John Singleton, Los Alamos National Laboratory
Room: 321

Friday, March 18, 2016 11:15AM - 11:27AM		Y22.00001: Quasi-local approximation of non-local exchange-correlation kernels in the adiabatic-connection fluctuation-dissipation theorem Deyu Lu Preview Abstract
Friday, March 18, 2016 11:27AM - 11:39AM		Y22.00002: The Connection between Diagrams and Electrodynamics in the Long-Range Dispersion Energy Rahul Maitra, Robert DiStasio Preview Abstract
Friday, March 18, 2016 11:39AM - 11:51AM		Y22.00003: A fully consistent spin formalism for the nonempirical van der Waals density functional vdW-DF T. Thonhauser, S. Zuluaga, C. Arter, K. Berland, E. Schr\"oder, P. Hyldgaard Preview Abstract
Friday, March 18, 2016 11:51AM - 12:03PM		Y22.00004: Dispersion Interactions in High-Density Molecular Crystals Peter Csernica, Rahul Maitra, Robert DiStasio Preview Abstract
Friday, March 18, 2016 12:03PM - 12:15PM		Y22.00005: On the pseudopotential approximation in the van der Waals density functional calculations Ikutaro Hamada, Martin Callsen Preview Abstract
Friday, March 18, 2016 12:15PM - 12:27PM		Y22.00006: Van der Waals Interactions Between Subsystems with Overlapping Electron Density Michele Pavanello Preview Abstract
Friday, March 18, 2016 12:27PM - 12:39PM		Y22.00007: The Dipole Polarizability of a Water Molecule \textit{in} Liquid Water Robert Distasio, Rahul Maitra Preview Abstract
Friday, March 18, 2016 12:39PM - 12:51PM		Y22.00008: Study of correlations from Ab-Initio Simulations of Liquid Water Adrian Soto, Marivi Fernandez-Serra, Deyu Lu, Shinjae Yoo Preview Abstract
Friday, March 18, 2016 12:51PM - 1:03PM		Y22.00009: The Role of Anharmonicity and Nuclear Quantum Effects in the Pyridine Molecular Crystal: An \textit{ab initio} Molecular Dynamics Study Hsin-Yu Ko, Robert A. Distasio Jr., Biswajit Santra, Roberto Car Preview Abstract
Friday, March 18, 2016 1:03PM - 1:15PM		Y22.00010: Phonon dispersion in acene molecular crystals using van der Waals density functionals Florian Brown-Altvater, Tonatiuh Rangel, Jeffrey B. Neaton Preview Abstract
Friday, March 18, 2016 1:15PM - 1:27PM		Y22.00011: Ligand control of magnetic ordering temperature in copper-pyrazine square lattice antiferromagnets John Singleton, P Goddard, I Franke, J Moeller, S Blundell, A Steele, C Topping, T Lancaster, C Baines, J Bendix, R McDonald, J Brambleby, M Lees, S Lapidus, P Stephens, B Tramley, K Funk, M Conner, J Corbey, H Tran, J Schlueter, J Manson Preview Abstract
Friday, March 18, 2016 1:27PM - 1:39PM		Y22.00012: UNUSUALLY LARGE YOUNG'S MUDULI OF AMINO ACID MOLECULAR CRYSTALS* Ido Azuri, Elena Meirzadeh, David Ehre, Sidney R. Cohen, Andrew M. Rappe, Meir Lahav, Igor Lubomirsky, Leeor Kronik Preview Abstract

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Bulletin of the American Physical Society

APS March Meeting 2016

Volume 61, Number 2

Monday–Friday, March 14–18, 2016; Baltimore, Maryland

Session Index

Session Y22: Van der Waals Bonding in Advanced Materials: Methods

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