Bulletin of the American Physical Society

APS March Meeting 2017

Volume 62, Number 4

Monday–Friday, March 13–17, 2017; New Orleans, Louisiana

Session Index

Session F26: Advances in Molecular Dynamics Simulation: From Atomistic to Coarse Grained Models - III

Focus

Show Abstracts

Sponsoring Units: DCP
Chair: Angel Garcia, Los Alamos National Laboratory
Room: 289

Tuesday, March 14, 2017 11:15AM - 11:51AM		F26.00001: Variationally optimal selection of slow coordinates and reaction coordinates in macromolecular systems Invited Speaker: Frank Noe Preview Abstract
Tuesday, March 14, 2017 11:51AM - 12:03PM		F26.00002: Brownian dynamics simulations of lipid bilayer membrane with hydrodynamic interactions in LAMMPS Szu-Pei Fu, Yuan-Nan Young, Zhangli Peng, Hongyan Yuan Preview Abstract
Tuesday, March 14, 2017 12:03PM - 12:15PM		F26.00003: Improving density functional tight binding predictions of free energy surfaces for peptide condensation reactions in solution Matthew Kroonblawd, Nir Goldman Preview Abstract
Tuesday, March 14, 2017 12:15PM - 12:51PM		F26.00004: Increasing the power of accelerated molecular dynamics methods and plans to exploit the coming exascale Invited Speaker: Arthur Voter Preview Abstract
Tuesday, March 14, 2017 12:51PM - 1:03PM		F26.00005: On the intrinsic flexibility of the opioid receptor through multiscale modeling approaches Daniel Vercauteren, Mathieu Fossépré, Laurence Leherte, Aatto Laaksonen Preview Abstract
Tuesday, March 14, 2017 1:03PM - 1:15PM		F26.00006: Scalable and fast concurrent multiscale molecular simulation with predictive parallelization scheme Horacio V. Guzman, Christoph Junghans, Karsten Kreis, Aoife Fogarty, Kurt Kremer, Torsten Stuehn Preview Abstract
Tuesday, March 14, 2017 1:15PM - 1:27PM		F26.00007: Chiral pathways in DNA dinucleotides using gradient optimized refinement along metastable borders Pablo Romano, Marina Guenza Preview Abstract
Tuesday, March 14, 2017 1:27PM - 1:39PM		F26.00008: Normal mode analysis on the relaxation of an excited nitromethane molecule in argon bath Luis Rivera-Rivera, Albert Wagner Preview Abstract
Tuesday, March 14, 2017 1:39PM - 1:51PM		F26.00009: Coarse-Graining of Polymer Dynamics via Energy Renormalization Wenjie Xia, Jake Song, Frederick Phelan, Jack Douglas, Sinan Keten Preview Abstract
Tuesday, March 14, 2017 1:51PM - 2:03PM		F26.00010: Exploring the Space of Coarse-Grained Models Thomas Foley, M. Scott Shell, William Noid Preview Abstract
Tuesday, March 14, 2017 2:03PM - 2:15PM		F26.00011: Predicting Viscosity of Complex Lubricant Molecules with Ester Functional Groups using Nonequilibrium Molecular Dynamics Simulations. M A Sabuj, Neeraj Rai Preview Abstract

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Bulletin of the American Physical Society

APS March Meeting 2017

Volume 62, Number 4

Monday–Friday, March 13–17, 2017; New Orleans, Louisiana

Session Index

Session F26: Advances in Molecular Dynamics Simulation: From Atomistic to Coarse Grained Models - III

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