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 W26: Computational Applications and Methods II	Show Abstracts
Sponsoring Units: DCP Chair: Ryan Steele, University of Utah Room: 204A

Thursday, March 5, 2015 2:30PM - 2:42PM		W26.00001: Spin-Polarized Nonadiabatic Dynamics with Local Basis Sets Robert Hoyt, Grigory Kolesov, Georgios Tritsaris, Oscar Granas, Efthimios Efthimios Preview Abstract
Thursday, March 5, 2015 2:42PM - 2:54PM		W26.00002: ABSTRACT WITHDRAWN Preview Abstract
Thursday, March 5, 2015 2:54PM - 3:06PM		W26.00003: Ultrafast Electron-Ion Dynamics Near Aluminum Surfaces Andre Schleife, Kai Wells, Sam Knewstub Preview Abstract
Thursday, March 5, 2015 3:06PM - 3:18PM		W26.00004: New spectroscopic approaches for periodic systems Sandra Luber Preview Abstract
Thursday, March 5, 2015 3:18PM - 3:30PM		W26.00005: Polarons in rutile TiO2 surfaces: a non-adiabatic excited-state dynamics study Grigory Kolesov, Dmitry Vinichenko, Georgios Tritsaris, Cynthia Friend, Efthimios Kaxiras Preview Abstract
Thursday, March 5, 2015 3:30PM - 3:42PM		W26.00006: TDDFT+DMFT analysis of excitations and relaxation dynamics in alpha-Ce Syed Islamuddin Shah, Volodymyr Turkowski, Talat S. Rahman Preview Abstract
Thursday, March 5, 2015 3:42PM - 3:54PM		W26.00007: Auger Relaxation of Hot Electrons in CdSe Quantum Dots using GFSH Dhara Trivedi, Linjun Wang, Oleg Prezhdo Preview Abstract
Thursday, March 5, 2015 3:54PM - 4:06PM		W26.00008: New Developments in Ab Initio Multiple Spawning for Efficient Nonadiabatic Molecular Dynamics Basile F.E. Curchod, Aaron Sisto, David R. Glowacki, Todd J. Mart\'{I}nez Preview Abstract
Thursday, March 5, 2015 4:06PM - 4:18PM		W26.00009: Effects of Thermal and Quantum Fluctuations on Dipole-moment distribution of $H_2O$ molecules in ice $I_h$ Pedro Moreira, Maurice de Koning Preview Abstract
Thursday, March 5, 2015 4:18PM - 4:30PM		W26.00010: Screened Hybrid Exact Exchange Schemes to Adsorption Energies on Perovskite Oxides Elton Santos, Aleksandra Vojvodic, Jens K. Norskov Preview Abstract
Thursday, March 5, 2015 4:30PM - 4:42PM		W26.00011: Kinetic compensation effect in thermal desorption Nayeli Zuniga-Hansen, Leonardo E. Silbert, Mercedes Calbi Preview Abstract
Thursday, March 5, 2015 4:42PM - 4:54PM		W26.00012: First principles molecular dynamics simulations of the static, dynamic and electronic properties of the liquid silver-tin alloy Lazaro Calderin, David Gonzalez, Luis E. Gonzalez Preview Abstract
Thursday, March 5, 2015 4:54PM - 5:06PM		W26.00013: Orbital-free ab initio molecular dynamics study of the free liquid surface of Sn. From pseudopotential generation to structural and dynamic properties Beatriz Gonzalez del Rio, Luis Enrique Gonzalez Tesedo Preview Abstract
Thursday, March 5, 2015 5:06PM - 5:18PM		W26.00014: ABSTRACT WITHDRAWN Preview Abstract
Thursday, March 5, 2015 5:18PM - 5:30PM		W26.00015: ABSTRACT WITHDRAWN 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 W26: Computational Applications and Methods II

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