Bulletin of the American Physical Society

APS March Meeting 2012

Volume 57, Number 1

Monday–Friday, February 27–March 2 2012; Boston, Massachusetts

Session Index

Session H35: Focus Session: DFT III: Weak Bonding and Liquid Phase Systems	Show Abstracts
Sponsoring Units: DCP Chair: Erin Johnson, University of California, Merced Room: 107B

Tuesday, February 28, 2012 8:00AM - 8:36AM		H35.00001: Weakly Interacting Subsystems in DFT Invited Speaker: Troy Van Voorhis Preview Abstract
Tuesday, February 28, 2012 8:36AM - 8:48AM		H35.00002: Towards Efficient and General Method for Many-Body van-der-Waals Interactions Alexandre Tkatchenko Preview Abstract
Tuesday, February 28, 2012 8:48AM - 9:00AM		H35.00003: Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals Leeor Kronik, Noa Marom, Alexandre Tkatchenko, Mariana Rossi, Vivekanand V. Gobre, Oded Hod, Matthias Scheffler Preview Abstract
Tuesday, February 28, 2012 9:00AM - 9:12AM		H35.00004: {\it Ab-inito} liquid water with hybrid functionals and dispersion interactions Zhaofeng Li, Xifan Wu, Robert DiStasio Jr., Roberto Car Preview Abstract
Tuesday, February 28, 2012 9:12AM - 9:48AM		H35.00005: Understanding the role of London dispersion forces in molecular surface processes Invited Speaker: Valentino R. Cooper Preview Abstract
Tuesday, February 28, 2012 9:48AM - 10:00AM		H35.00006: First principles Monte Carlo simulations of vapor--liquid equilibria: Density functionals, basis sets, and dispersion corrections J. Ilja Siepmann, Matthew J. McGrath, I-F. William Kuo, Christopher J. Mundy Preview Abstract
Tuesday, February 28, 2012 10:00AM - 10:12AM		H35.00007: Incorporation of an Improved Radial Distribution Function into Classical DFT Joost De Gussem, Erin McGarrity Preview Abstract
Tuesday, February 28, 2012 10:12AM - 10:24AM		H35.00008: Solvation of the chloride anion in water: ab initio simulations Cui Zhang, Davide Donadio, Francois Gygi, Giulia Galli Preview Abstract
Tuesday, February 28, 2012 10:24AM - 10:36AM		H35.00009: Entropy of Liquid Water from Ab Initio Molecular Dynamics Leonardo Spanu, Cui Zhang, Giulia Galli Preview Abstract
Tuesday, February 28, 2012 10:36AM - 10:48AM		H35.00010: Mean-field Density Functional Theory of Triple Junction Chang-You Lin, Michael Widom, Robert F. Sekerka Preview Abstract
Tuesday, February 28, 2012 10:48AM - 11:00AM		H35.00011: Structural and vibrational properties of sulphate-water clusters from ab-initio calculations Quan Wan, Leonardo Spanu, Giulia Galli Preview Abstract

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Bulletin of the American Physical Society

APS March Meeting 2012

Volume 57, Number 1

Monday–Friday, February 27–March 2 2012; Boston, Massachusetts

Session Index

Session H35: Focus Session: DFT III: Weak Bonding and Liquid Phase Systems

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