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 G27: Focus Session: Petascale Science and Beyond: Applications and Opportunities for Materials Science II	Show Abstracts
Sponsoring Units: DCOMP Chair: Thomas Schulthess, ETH Zurich/ Swiss National Supercomputing Center (CSCS) Room: 501

Tuesday, March 4, 2014 11:15AM - 11:27AM		G27.00001: Multi-Million-Atom Molecular Dynamics Simulations of Polymer Nanoparticle Composites using Explicit Solvent Treatment Sanket Deshmukh, Ganesh Kamath, Derrick Mancini, Subramanian Sankaranarayanan Preview Abstract
Tuesday, March 4, 2014 11:27AM - 11:39AM		G27.00002: Experiment-scale molecular simulation study of liquid crystal thin films Trung Dac Nguyen, Jan-Michael Y. Carrillo, Michael A. Matheson, W. Michael Brown Preview Abstract
Tuesday, March 4, 2014 11:39AM - 11:51AM		G27.00003: Petascale Molecular Dynamics Simulations of Thermal Annealing of P3HT:PCBM Active Layers in Bulk Heterojunctions Jan-Michael Carrillo, Rajeev Kumar, Monojoy Goswami, S. Michael Kilbey II, Bobby Sumpter, W. Michael Brown Preview Abstract
Tuesday, March 4, 2014 11:51AM - 12:27PM		G27.00004: Petascale resources and CP2K: enabling sampling, large scale models or correlation beyond DFT Invited Speaker: Joost VandeVondele Preview Abstract
Tuesday, March 4, 2014 12:27PM - 12:39PM		G27.00005: Optimizing GW for Petascale HPC and Beyond Jack Deslippe, Andrew Canning, Yousef Saad, James Chelikowsky, Steven Louie Preview Abstract
Tuesday, March 4, 2014 12:39PM - 12:51PM		G27.00006: Computing quasiparticle energies and band offsets for large systems Marco Govoni, Giulia Galli Preview Abstract
Tuesday, March 4, 2014 12:51PM - 1:03PM		G27.00007: An accurate and scalable O(N) algorithm for First-Principles Molecular Dynamics computations on petascale computers and beyond Daniel Osei-Kuffuor, Jean-Luc Fattebert Preview Abstract
Tuesday, March 4, 2014 1:03PM - 1:15PM		G27.00008: Accelerating Hybrid Density Functional Theory Molecular Dynamics William Dawson, Francois Gygi Preview Abstract
Tuesday, March 4, 2014 1:15PM - 1:27PM		G27.00009: Phonon Quasi-Particles and Anharmonic Free Energy in Complex Systems Dong-Bo Zhang, Tao Sun, Renata Wentzcovitch Preview Abstract
Tuesday, March 4, 2014 1:27PM - 1:39PM		G27.00010: Million atom DFT calculations using coarse graining and petascale computing Don Nicholson, Kh. Odbadrakh, G.D. Samolyuk, R.E. Stoller, X.G. Zhang, G.M. Stocks Preview Abstract
Tuesday, March 4, 2014 1:39PM - 1:51PM		G27.00011: Atomic Structure Prediction with Large-Scale High Performance Computing Cai-Zhuang Wang, Bruce Harmon, Manh Cuong Nguyen, Xin Zhao, Kai-Ming Ho Preview Abstract
Tuesday, March 4, 2014 1:51PM - 2:03PM		G27.00012: ABSTRACT WITHDRAWN Preview Abstract
Tuesday, March 4, 2014 2:03PM - 2:15PM		G27.00013: Dissipative Particle Dynamics Simulations at Extreme Scale: GPU Algorithms, Implementation and Applications Yu-Hang Tang, George Karniadakis Preview Abstract

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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 G27: Focus Session: Petascale Science and Beyond: Applications and Opportunities for Materials Science II

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