Bulletin of the American Physical Society

APS March Meeting 2015

Volume 60, Number 1

Monday–Friday, March 2–6, 2015; San Antonio, Texas

Session Index

Session M24: Electronic Structure Methods III	Show Abstracts
Sponsoring Units: DCOMP FIAP Chair: Alan Aspuru-Guzik, Harvard University Room: 203AB

Wednesday, March 4, 2015 11:15AM - 11:27AM		M24.00001: A Novel Gaussian-Sinc mixed Basis Set for Electronic Structure calculations Jonathan Jerke, Young Lee, C.J. Tymczak Preview Abstract
Wednesday, March 4, 2015 11:27AM - 11:39AM		M24.00002: Modeling the kinetic energy density of molecules -- towards an orbital-free meta-GGA Antonio Cancio, Dane Stewart, Jeremy Redd Preview Abstract
Wednesday, March 4, 2015 11:39AM - 11:51AM		M24.00003: Convergence of the phonon energy in two-dimensional atomic crystal of lead Jia-An Yan Preview Abstract
Wednesday, March 4, 2015 11:51AM - 12:03PM		M24.00004: Implicit solvent models in VASP Kiran Mathew, Richard Hennig Preview Abstract
Wednesday, March 4, 2015 12:03PM - 12:15PM		M24.00005: Compact wavefunctions from compressed imaginary time evolution Jarrod McClean, Alan Aspuru-Guzik Preview Abstract
Wednesday, March 4, 2015 12:15PM - 12:27PM		M24.00006: First-Principles Studies of the Excited States of Chromophore Monomers and Dimers Samia Hamed, Sahar Sharifzadeh, Jeffrey Neaton Preview Abstract
Wednesday, March 4, 2015 12:27PM - 12:39PM		M24.00007: ``Phantom'' Modes in \textit{Ab Initio} Tunneling Calculations: Implications for Theoretical Materials Optimization, Tunneling, and Transport Sergey V. Barabash, Dipankar Pramanik Preview Abstract
Wednesday, March 4, 2015 12:39PM - 12:51PM		M24.00008: Three- to two-dimensional crossover in time-dependent density-functional theory Shahrzad Karimi, Carsten Ullrich Preview Abstract
Wednesday, March 4, 2015 12:51PM - 1:03PM		M24.00009: ABSTRACT WITHDRAWN Preview Abstract
Wednesday, March 4, 2015 1:03PM - 1:15PM		M24.00010: Ultrafast coupled plasmon-phonon mode dynamics in GaAs, a combined experimental and theoretical approach Evan Thatcher, Christopher Stanton, Kunie Ishioka, Amlan Basak, Hrvoje Petek Preview Abstract
Wednesday, March 4, 2015 1:15PM - 1:27PM		M24.00011: Surface Dangling Bonds Are a Cause of Type-II Blinking in Si Nanoparticles Nicholas Brawand, Marton Voros, Giulia Galli Preview Abstract
Wednesday, March 4, 2015 1:27PM - 1:39PM		M24.00012: Auxiliary density functionals: a new class of methods for efficient, stable density functional theory calculations Phil Hasnip, Matt Probert Preview Abstract
Wednesday, March 4, 2015 1:39PM - 1:51PM		M24.00013: Speeding up DFT: A new approach to k-point integration Jeremy J. Jorgensen, Derek C. Thomas, Matthew M. Burbidge, Ian H. Sloan, Conrad W. Rosenbrock, Rodney W. Forcade, Bret C. Hess, Gus L.W. Hart Preview Abstract
Wednesday, March 4, 2015 1:51PM - 2:03PM		M24.00014: Universal continuum solvation models for plane-wave density functional theory Deniz Gunceler, T.A. Arias Preview Abstract
Wednesday, March 4, 2015 2:03PM - 2:15PM		M24.00015: Ab-initio atomic level stress and role of d-orbitals in CuZr, CuZn and CuY Madhusudan Ojha, Don M. Nicholson, Takeshi Egami Preview Abstract

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Bulletin of the American Physical Society

APS March Meeting 2015

Volume 60, Number 1

Monday–Friday, March 2–6, 2015; San Antonio, Texas

Session Index

Session M24: Electronic Structure Methods III

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