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 B7: Computational Physics at the Petascale and Beyond II

Focus Session

Show Abstracts

Sponsoring Units: DCOMP DMP-DCMP DCP-DBIO
Chair: Nichols Romero, Argonne National Laboratory
Room: 266

Monday, March 13, 2017 11:15AM - 11:51AM		B7.00001: Adaptive sampling strategies with high-throughput molecular dynamics Invited Speaker: Cecilia Clementi Preview Abstract
Monday, March 13, 2017 11:51AM - 12:03PM		B7.00002: Freud: a software suite for high-throughput simulation analysis Eric Harper, Matthew Spellings, Joshua Anderson, Sharon Glotzer Preview Abstract
Monday, March 13, 2017 12:03PM - 12:15PM		B7.00003: Efficient Calculation of Exact Exchange Within the Quantum Espresso Software Package Taylor Barnes, Thorsten Kurth, Pierre Carrier, Nathan Wichmann, David Prendergast, Paul Kent, Jack Deslippe Preview Abstract
Monday, March 13, 2017 12:15PM - 12:27PM		B7.00004: Parallel performance for large scale GW calculation using the OpenAtom software Subhasish Mandal, Minjung Kim, Eric Mikida, Kavitha Chndrasekar, Eric Bohm, Nikhil Jain, Laxmikant V. Kale, Glenn J. Martyna, Sohrab Ismail-Beigi Preview Abstract
Monday, March 13, 2017 12:27PM - 12:39PM		B7.00005: Large scale ab initio molecular dynamics using the OpenAtom software Sohrab Ismail-Beigi, Subhasish Mandal, Minjung Kim, Eric Mikida, Eric Bohm, Prateek Jindal, Nikhil Jain, Laxmikant Kale, Glenn Martyna Preview Abstract
Monday, March 13, 2017 12:39PM - 12:51PM		B7.00006: Exploring ultrafast dynamics in photoexcited layered materials by large-scale quantum molecular dynamics simulations Aravind Krishnamoorthy, Lindsay Bassman, Aiichiro Nakano, Rajiv Kalia, Priya Vashishta, Hiroyuki Kumazoe, Masaaki Misawa, Fuyuki Shimojo Preview Abstract
Monday, March 13, 2017 12:51PM - 1:03PM		B7.00007: Multimillion-atom Reactive Molecular Dynamics Simulations on Oxidation of SiC Nanoparticles Ying Li, Nichols Romero Preview Abstract
Monday, March 13, 2017 1:03PM - 1:15PM		B7.00008: Workflow Management Systems for Molecular Dynamics on Leadership Computers Jack Wells, Sergey Panitkin, Danila Oleynik, Shantenu Jha Preview Abstract
Monday, March 13, 2017 1:15PM - 1:27PM		B7.00009: Neutron Scattering in Chemistry: Experiments, Models and Statistical Description of Physical Phenomena Timmy Ramirez Cuesta Preview Abstract
Monday, March 13, 2017 1:27PM - 1:39PM		B7.00010: Highly Efficient Parallel Multigrid Solver For Large-Scale Simulation of Grain Growth Using the Structural Phase Field Crystal Model Zhen Guan, Dmitry Pekurovsky, Jason Luce, Katsuyo Thornton, John Lowengrub Preview Abstract
Monday, March 13, 2017 1:39PM - 1:51PM		B7.00011: Large Scale GW Calculations on the Cori System Jack Deslippe, Mauro Del Ben, Felipe da Jornada, Andrew Canning, Steven Louie Preview Abstract
Monday, March 13, 2017 1:51PM - 2:03PM		B7.00012: Open release of the DCA++ project Urs Haehner, Raffaele Solca, Peter Staar, Gonzalo Alvarez, Thomas Maier, Michael Summers, Thomas Schulthess Preview Abstract
Monday, March 13, 2017 2:03PM - 2:15PM		B7.00013: OpenRBC: Redefining the Frontier of Red Blood Cell Simulations at Protein Resolution Yu-Hang Tang, Lu Lu, He Li, Leopold Grinberg, Vipin Sachdeva, Constantinos Evangelinos, George Karniadakis 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 B7: Computational Physics at the Petascale and Beyond II

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