Session Index

Session L13: Computational Methods: Quantum Monte Carlo

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Abstracts
Sponsoring Units: DCOMP
Chair: Jeff Grossman, University of California, Berkeley
Room: 309


Tuesday, March 17, 2009
2:30PM - 2:42PM

 L13.00001: ABSTRACT WITHDRAWN


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Tuesday, March 17, 2009
2:42PM - 2:54PM

 L13.00002: PIMC Simulation of Thermal Dissociation of Dipositronium
Ilkka Kyl\"anp\"a\"a , Tapio Rantala

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Tuesday, March 17, 2009
2:54PM - 3:06PM

 L13.00003: Convergence of the variational parameter without convergence of the energy in Quantum Monte Carlo (QMC) calculations using the Stochastic Gradient Approximation
Daniel Nissenbaum , Hsin Lin , Bernardo Barbiellini , Arun Bansil

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Tuesday, March 17, 2009
3:06PM - 3:18PM

 L13.00004: Effective one-body potential fitted for many-body interactions associated with a Jastrow function: application to the quantum Monte Carlo calculations
Naoto Umezawa , Brian Austin , William A. Lester, Jr

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Tuesday, March 17, 2009
3:18PM - 3:30PM

 L13.00005: Improved Algorithm for Calculating Observables in Diffusion and Reptation Quantum Monte Carlo
Jeremy McMinis , David Ceperley , Carlo Pierleoni

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Tuesday, March 17, 2009
3:30PM - 3:42PM

 L13.00006: Analysis of fixed-nodes errors in quantum Monte Carlo calculations of atoms and molecules
Shuming Hu , Kevin Rasch , Minyi Zhu , Michal Bajdich , Lubos Mitas

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Tuesday, March 17, 2009
3:42PM - 3:54PM

 L13.00007: Geometry of fermion nodes and its impact on many-body effects in quantum Monte Carlo
Lubos Mitas

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Tuesday, March 17, 2009
3:54PM - 4:06PM

 L13.00008: Hybrid DFT orbitals as a means of reduction of fixed-node errors in diffusion Monte Carlo simulations
Jindrich Kolorenc , Shuming Hu , Lubos Mitas

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Tuesday, March 17, 2009
4:06PM - 4:18PM

 L13.00009: Geometry optimization using Quantum Monte Carlo
Lucas Wagner , Jeffrey Grossman

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Tuesday, March 17, 2009
4:18PM - 4:30PM

 L13.00010: Quantum Monte Carlo calculations of the energy-level alignment at organic-inorganic hybrid interfaces
Zhigang Wu , Yosuke Kanai , Jeffrey Grossman

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Tuesday, March 17, 2009
4:30PM - 4:42PM

 L13.00011: QMC Study of Optical Switching of Azobenzene Molecule
Rene Derian , Matus Dubecky , Lubos Mitas , Ivan Stich

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Tuesday, March 17, 2009
4:42PM - 4:54PM

 L13.00012: Multideterminant quantum Monte Carlo calculations of benzene dimers
Richard G. Hennig , Kathleen A. Schwarz , Cyrus Umrigar , Julien Toulouse

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Tuesday, March 17, 2009
4:54PM - 5:06PM

 L13.00013: A Quantum Monte Carlo investigation of dispersion interactions in graphite
Leonardo Spanu , Giulia Galli , Sandro Sorella

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Tuesday, March 17, 2009
5:06PM - 5:18PM

 L13.00014: Auxiliary-Field Quantum Monte Carlo Studies of Pressure-Induced Phase Transitions in Silicon and MnO
Wirawan Purwanto , Henry Krakauer , Eric Walter , Shiwei Zhang

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Tuesday, March 17, 2009
5:18PM - 5:30PM

 L13.00015: A Quantum Monte Carlo Study of Molecular Titanium Dihydride$^\dag$
Todd D. Beaudet , Jeongnim Kim , Kenneth Esler , Richard M. Martin

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