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1) A32.00003 : Ab initio modeling of STM elastic
and inelastic tunneling spectra of tetramantane on Au(111) surface.
Authors: Emmanouil
Kioupakis, R. Yamachika, Y. Wang, X.H. Lu, M.F. Crommie, Steven G.
Louie
Monday, March 13, 8:24 AM–8:36 AM,
Baltimore Convention Center – 329
Session
A32: Fullerenes
Chair: Tunna Baruah,
University of Texas, El Paso
2) N18.00003 : Electrically Tunable Magnetic
Properties of Defective Metallic Carbon Nanotubes
Authors: Young-Woo
Son, Marvin
L. Cohen, Steven G. Louie Wednesday, March 15,
8:48 AM–9:00 AM, Baltimore Convention Center - 315 Session
N18: Focus Session: Carbon Nanotubes: Transport I
Chair: Jun Kono, Rice
University
3) N23.00010 : Ab initio calculations on the
frustrated magnet ZnCr2O4
Authors: Kevin T. Chan,
Jay
D. Sau, Marvin L. Cohen, Peihong Zhang
Wednesday, March 15,
10:12 AM–10:24 AM, Baltimore Convention Center - 320
Session
N23: Focus Session: MAG.THY III: Oxides and Phase Transitions
Chair:
Bruce Harmon, Ames Laboratory 4) P39.00012 : The
role of the Fermi surface sampling in first-principles calculations of
electron-phonon coupling Authors: Feliciano
Giustino, Marvin L. Cohen, Steven G. Louie
Wednesday, March 15,
1:51 PM–2:03 PM, Baltimore Convention Center - 342
Session
P39: Focus Session: Superconductivity-Theory and Computation (Mainly First
Principles)
Chair:
Ole Andersen, Max Planck Institute 5) R32.00004 : Dissipation of Mechanical Energy
in Carbon Nanotube-based Mechanical Devices
Author: Paul Tangney
Wednesday, March 15, 3:06 PM–3:42 PM,
Baltimore Convention Center – 329
Session
R32: Focus Session: Computational Nanoscience V
Chair:
Wenchang Lu, North Carolina State University 6) R37.00003 : Exploring the lead dependence of
single-molecule conductance from first principles: The case of H2 molecular
junctions
Authors: K.H. Khoo, J.B. Neaton, Steven G. Louie
Wednesday, March 15,
3:18 PM–3:30 PM, Baltimore Convention Center - 340
Session
R37: Focus Session: Nanoscale Conductance Theory I
Chair: Mark Hybertsen, Columbia University 7) R37.00004 : Electronic level alignment at
metal-molecule interfaces from first principles
Authors: Jeffrey B.
Neaton, Mark S. Hybertsen, Steven G. Louie
Wednesday, March 15, 3:30 PM–3:42 PM,
Baltimore Convention Center - 340 Session
R37: Focus Session: Nanoscale Conductance Theory I
Chair:
Mark Hybertsen, Columbia University 8) R37.00006 : Constrained LDA ab-initio
calculation of screening of charging energy in C60
Authors: Jay Sau, Jeffrey Neaton, K.H.
Khoo, Hyoung Joon Choi, Steven Louie, Marvin Cohen
Wednesday, March 15,
3:54 PM–4:06 PM, Baltimore Convention Center – 340
Session
R37: Focus Session: Nanoscale Conductance Theory I Chair:
Mark Hybertsen, Columbia University 9) V36.00003 : First-Principles study of the
optical properties of BN nanotubes and h-BN
Authors: Cheol Hwan
Park, Catalin
Spataru, Steven Louie
Thursday, March 16,
12:03 PM–12:15 PM, Baltimore Convention Center – 339
Session
V36: Focus Session: Optical Properties of Carbon Nanotubes and C60
Chair: Eric Shirley, NIST 10) V36.00005 : Bound excitons and optical
absorption spectra of (10,10) metallic single-walled carbon nanotubes
Authors: Jack Deslippe, Catalin Spataru, Steven Louie
Thursday, March 16,
12:27 PM–12:39 PM, Baltimore Convention Center – 339
Session
V36: Focus Session: Optical Properties of Carbon Nanotubes and C60
Chair: Eric Shirley, NIST 11) V38.00009 :
Stability Constraints and Local Criteria for the Bounds on Tc of Conventional
Superconductors Authors: Jonathan E.
Moussa, Marvin L. Cohen
Thursday, March 16,
12:51 PM–1:03 PM, Baltimore Convention Center - 341
Session
V38: Superconductivity-Thermodynamics and Structure
Chair:
Jeff Tallon, Industrial Research Limited 12) Z37.00001 : First-principles studies
of the electronic structure of cyclopentene on Si(100) Authors: Su Ying
Quek,
Jeffrey Neaton, Mark Hybertsen, Efthimios Kaxiras, Steven
Louie Friday, March 17,
11:15 AM–11:27 AM ,Baltimore Convention Center - 340 Session
Z37: Focus Session: Nanoscale Conductance Theory III
Chair: Jeffrey Neaton, (LBNL) A39.00007 : Electron phonon coupling and phonon
renormalization in covalent metals
Authors: Peihong Zhang,
Steven
G. Louie, Marvin L. Cohen
Monday, March 13,
9:12 AM–9:24 AM, Baltimore Convention Center – 342
Session
A39: Focus Session: Magnesium Diboride and Related Compounds: Multi Gap
Superconductivity
Chair: Lance Cooley,
Brookhaven National Laboratory
G18.00001 : Excitons in the optical properties
of nanotubes
Author: Catalin Spataru
Tuesday, March 14,
8:00 AM–8:36 AM, Baltimore Convention Center – 315
Session
G18: Focus Session: Carbon Nanotubes: Electronic and Optical Properties I
Chair: Tobias Hertel, Vanderbilt University G18.00004 : Diameter and chirality dependence of
exciton properties in carbon nanotubes
Authors: Rodrigo Capaz, Catalin Spataru,
Sohrab Ismail-Beigi, Steven Louie
Tuesday, March 14, 9:00 AM–9:12 AM,
Baltimore Convention Center – 315
Session
G18: Focus Session: Carbon Nanotubes: Electronic and Optical Properties I
Chair:
Tobias Hertel, Vanderbilt University K31.00005 : Accurate prediction of x-ray
absorption spectra using density functional theory
Authors: David
Prendergast, Giulia Galli
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