Bulletin of the American Physical Society

APS March Meeting 2014

Volume 59, Number 1

Monday–Friday, March 3–7, 2014; Denver, Colorado

Session Index

Session T26: Classical Monte Carlo and Molecular Dynamics Methods	Show Abstracts
Sponsoring Units: DCOMP Chair: Timothy Germann, Los Alamos National Laboratory Room: 502

Thursday, March 6, 2014 11:15AM - 11:27AM		T26.00001: Adapting phase-switch Monte Carlo method for flexible organic molecules Sally Bridgwater, David Quigley Preview Abstract
Thursday, March 6, 2014 11:27AM - 11:39AM		T26.00002: Ab initio molecular dynamics with noisy and cheap quantum Monte Carlo forces: accurate calculation of vibrational frequencies Ye Luo, Sandro Sorella Preview Abstract
Thursday, March 6, 2014 11:39AM - 11:51AM		T26.00003: Monte Carlo and Molecular Dynamics in the Multicanonical Ensemble: Connections between Wang-Landau Sampling and Metadynamics Thomas Vogel, Danny Perez, Christoph Junghans Preview Abstract
Thursday, March 6, 2014 11:51AM - 12:03PM		T26.00004: OpenKIM - Building a Knowledgebase of Interatomic Models Matthew Bierbaum, Ellad Tadmor, Ryan Elliott, Trevor Wennblom, Alexander Alemi, Yan-Jiun Chen, Daniel Karls, Adam Ludvik, James Sethna Preview Abstract
Thursday, March 6, 2014 12:03PM - 12:15PM		T26.00005: Density Functional Atom-In-Molecule Force Field for Charge Transfer Systems Susan R. Atlas, Steven M. Valone Preview Abstract
Thursday, March 6, 2014 12:15PM - 12:27PM		T26.00006: Objectivity in Classical Molecular Dynamics: Objective Velocity, Temperature and Virial Stress Zidong Yang, James Lee, Azim Eskandarian Preview Abstract
Thursday, March 6, 2014 12:27PM - 12:39PM		T26.00007: Path Integral Molecular Dynamics for Hydrogen with Orbital-Free Density Functional Theory Keith Runge, Valentin Karasiev, Pierre Deymier Preview Abstract
Thursday, March 6, 2014 12:39PM - 12:51PM		T26.00008: Towards a Discrete Element Method (DEM) for modeling anisotropic, nano- and colloidal scale particles in Molecular Dynamics (MD) Ryan Marson, Matthew Spellings, Joshua Anderson, Sharon Glotzer Preview Abstract
Thursday, March 6, 2014 12:51PM - 1:03PM		T26.00009: Simulating ionic thermal trasport by equilibrium ab-initio molecular dynamics Aris Marcolongo, Paolo Umari, Stefano Baroni Preview Abstract
Thursday, March 6, 2014 1:03PM - 1:15PM		T26.00010: A slave cluster expansion for obtaining ab-initio interatomic potentials Xinyuan Ai, Chris Marianetti Preview Abstract
Thursday, March 6, 2014 1:15PM - 1:27PM		T26.00011: Nucleation pathways in partially disordered lattice models David Quigley, Yuri Lifanov, Bart Vorselaars Preview Abstract
Thursday, March 6, 2014 1:27PM - 1:39PM		T26.00012: NiTi shape memory via solid-state nudge-elastic band Nikolai A. Zarkevich, Duane D. Johnson Preview Abstract
Thursday, March 6, 2014 1:39PM - 1:51PM		T26.00013: Amorphization of silicon crystals under shear stress Gianpietro Moras, Andreas Klemenz, Hiroshi Uetsuka, Michael Moseler, Lars Pastewka Preview Abstract
Thursday, March 6, 2014 1:51PM - 2:03PM		T26.00014: Non-equilibrium relaxation analysis in cluster algorithms Yoshihiko Nonomura Preview Abstract
Thursday, March 6, 2014 2:03PM - 2:15PM		T26.00015: The effect of kinetic degrees of freedom in the study of microcanonical phase transitions Sergio Davis, Joaquin Peralta Preview Abstract

About APS

The American Physical Society (APS) is a non-profit membership organization working to advance the knowledge of physics.

Headquarters 1 Physics Ellipse, College Park, MD 20740-3844 (301) 209-3200
Editorial Office 100 Motor Pkwy, Suite 110, Hauppauge, NY 11788 (631) 591-4000
Office of Public Affairs 529 14th St NW, Suite 1050, Washington, D.C. 20045-2001 (202) 662-8700

Bulletin of the American Physical Society

APS March Meeting 2014

Volume 59, Number 1

Monday–Friday, March 3–7, 2014; Denver, Colorado

Session Index

Session T26: Classical Monte Carlo and Molecular Dynamics Methods

Follow Us

Engage

My APS

Information for

About APS