Thursday, March 21, 2013
2:30PM - 2:42PM
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W25.00001: Hard-Disk Equation of State: First-Order Liquid-Hexatic Transition in Two Dimensions with Three Simulation Methods
Michael Engel, Joshua A. Anderson, Masaharu Isobe, Etienne P. Bernard, Werner Krauth, Sharon C. Glotzer
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Thursday, March 21, 2013
2:42PM - 2:54PM
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W25.00002: Massively parallel Monte Carlo for many-particle simulations on GPUs
Sharon Glotzer, Joshua Anderson, Eric Jankowski, Thomas Grubb, Michael Engel
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Thursday, March 21, 2013
2:54PM - 3:06PM
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W25.00003: Generalized Bond Order Parameters to Characterize Transient Crystals
Masaharu Isobe, Berni Alder
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Thursday, March 21, 2013
3:06PM - 3:18PM
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W25.00004: Size-dependent Melting Behavior of Iron Nanoparticles by Replica Exchange Molecular Dynamics
Qiang Shu, Yang Yang, Yingteng Zhai, Deyan Sun, Hongjun Xiang, Xingao Gong
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Thursday, March 21, 2013
3:18PM - 3:30PM
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W25.00005: Nanoindentation in Nanoporous Silica: Multimillion-Atom Molecular Dynamics Simulations
Adarsh Shekhar, Camilla N. Kirkemo, Anders Malthe-S{\O}renssen, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta
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Thursday, March 21, 2013
3:30PM - 3:42PM
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W25.00006: Automated generation of quantum-accurate classical interatomic potentials for metals and semiconductors
Aidan Thompson, Stephen Foiles, Peter Schultz, Laura Swiler, Christian Trott, Garritt Tucker
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Thursday, March 21, 2013
3:42PM - 3:54PM
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W25.00007: Database Optimization for interatomic potential model
Pinchao Zhang, Dallas Trinkle
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Thursday, March 21, 2013
3:54PM - 4:06PM
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W25.00008: A first-principles interatomic potential via perturbative theory
Xinyuan Ai, Chris Marianetti
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Thursday, March 21, 2013
4:06PM - 4:18PM
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W25.00009: A new type of interatomic potential for oxides and its applications to BiFeO$_3$ and PbTiO$_3$
Shi Liu, Hiroyuki Takenaka, Tingting Qi, Ilya Grinberg, Andrew Rappe
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Thursday, March 21, 2013
4:18PM - 4:30PM
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W25.00010: A New Charge Model in The Valence Force Field Model for Phonon Calculations
Christopher Barrett, Lin-Wang Wang
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Thursday, March 21, 2013
4:30PM - 4:42PM
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W25.00011: Temperature-dependent classical phonons from efficient non-dynamical simulations
Jorge Iniguez, Mathias P. Ljungberg
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Thursday, March 21, 2013
4:42PM - 4:54PM
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W25.00012: Density and Spectral-Density Matrices in Atomistic-Scale Models
Steven Valone
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Thursday, March 21, 2013
4:54PM - 5:06PM
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W25.00013: Atomistic Simulation Studies of the Bulk Lithiated TiO$_2 $
Phuti Ngoepe, Malili Matshaba, Dean Sayle
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Thursday, March 21, 2013
5:06PM - 5:18PM
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W25.00014: Atomistic simulations studies of the bulk cobalt pentlandite (Co$_9$S$_8)$: Validation of the potential model
Mofuti Mehlape, Steve Parker, Phuti Ngoepe
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Thursday, March 21, 2013
5:18PM - 5:30PM
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W25.00015: Stable Algorithms for Modeling Thin-Film Epitaxial Growth
Greg Seyfarth, Benjamin Vollmayr-Lee
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