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 A7: Computational Physics at the Petascale and Beyond I

Focus Session

Show Abstracts

Sponsoring Units: DCOMP DMP-DCMP DBIO-DCP
Chair: Jack Wells, Oak Ridge National Laboratory
Room: 266

Monday, March 13, 2017 8:00AM - 8:12AM		A7.00001: ALCF Data Science Program: Productive Data-centric Supercomputing Nichols Romero, Venkatram Vishwanath Preview Abstract
Monday, March 13, 2017 8:12AM - 8:24AM		A7.00002: BEAM: An HPC Pipeline for Nanoscale Materials Analysis and Neutron Data Modeling Eric Lingerfelt, Eirik Endeve, Yawei Hui, Chris Smith, Suhas Somnath, Nathan Grodowitz, Jose Borreguero, Feng Bao, Jennifer Niedziela, Dipanshu Bansal, Olivier Delaire, Richard Archibald, Alex Belianinov, Mallikarjun Shankar, Stephen Jesse Preview Abstract
Monday, March 13, 2017 8:24AM - 8:36AM		A7.00003: Extending Strong Scaling of Quantum Monte Carlo to the Exascale Luke Shulenburger, Andrew Baczewski, Ye Luo, Nichols Romero, Paul Kent Preview Abstract
Monday, March 13, 2017 8:36AM - 9:12AM		A7.00004: Here and now: the intersection of computational science, quantum-mechanical simulations, and materials science. Invited Speaker: Nicola Marzari Preview Abstract
Monday, March 13, 2017 9:12AM - 9:24AM		A7.00005: Parameters Free Computational Characterization of Defects in Transition Metal Oxides with Diffusion Quantum Monte Carlo Juan A. Santana, Jaron T. Krogel, Paul R. Kent, Fernando Reboredo Preview Abstract
Monday, March 13, 2017 9:24AM - 9:36AM		A7.00006: High-efficiency wavefunction updates for large scale Quantum Monte Carlo Paul Kent, Tyler McDaniel, Ying Wai Li, Ed D'Azevedo Preview Abstract
Monday, March 13, 2017 9:36AM - 9:48AM		A7.00007: OWL: A scalable Monte Carlo simulation suite for finite-temperature study of materials Ying Wai Li, Simuck F. Yuk, Valentino R. Cooper, Markus Eisenbach, Khorgolkhuu Odbadrakh Preview Abstract
Monday, March 13, 2017 9:48AM - 10:00AM		A7.00008: Real-time electron dynamics for massively parallel excited-state simulations Xavier Andrade Preview Abstract
Monday, March 13, 2017 10:00AM - 10:12AM		A7.00009: Massively Parallel Real-Time TDDFT Simulations of Electronic Stopping Processes Dillon Yost, Cheng-Wei Lee, Erik Draeger, Alfredo Correa, Andre Schleife, Yosuke Kanai Preview Abstract
Monday, March 13, 2017 10:12AM - 10:24AM		A7.00010: Toward Petascale Biologically Plausible Neural Networks Lyle Long Preview Abstract
Monday, March 13, 2017 10:24AM - 10:36AM		A7.00011: Machine learning properties of materials and molecules with entropy-regularized kernels Michele Ceriotti, Albert Bartók, Gábor Csányi, Sandip De Preview Abstract
Monday, March 13, 2017 10:36AM - 10:48AM		A7.00012: Improving the network efficiency of the two particle parquet algorithm Samuel Kellar, Bibek Wagle, Ka-Ming Tam, Hartmut Kaiser, Juana Moreno, Mark Jarrell Preview Abstract
Monday, March 13, 2017 10:48AM - 11:00AM		A7.00013: Computational studies of the 2D self-assembly of bacterial microcompartment shell proteins Jyoti Mahalik, Kirsten Brown, Xiaolin Cheng, Miguel Fuentes-Cabrera 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 A7: Computational Physics at the Petascale and Beyond I

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