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 C7: Computational Physics at the Petascale and Beyond III

Focus Session

Show Abstracts

Sponsoring Units: DCOMP DMP-DCMP DCP-DBIO
Chair: Jack Deslippe, Lawerence Berkeley National Laboratory
Room: 266

Monday, March 13, 2017 2:30PM - 2:42PM		C7.00001: New implementations for large scale DFT and GW calculations with numeric atom-centered orbital basis functions on many-core architectures Alvaro Vazquez Mayagoitia Preview Abstract
Monday, March 13, 2017 2:42PM - 2:54PM		C7.00002: A Unified Software Interface to Solve or Circumvent the Kohn-Sham Eigenvalue Problem: ELSI Victor Yu, William Huhn, Bj\"{o}rn Lange, Volker Blum, Fabiano Corsetti, Lin Lin, Jianfeng Lu, Alvaro Vazquez-Mayagoita, Chao Yang Preview Abstract
Monday, March 13, 2017 2:54PM - 3:06PM		C7.00003: Advances in Real Space Methods to Solve the Kohn-Sham Equation Chalres Lena, James R. Chelikowsky, Ariel Biller, Leeor Kronik Preview Abstract
Monday, March 13, 2017 3:06PM - 3:42PM		C7.00004: Accelerating large scale Kohn-Sham density functional theory calculations with semi-local functionals and hybrid functionals Invited Speaker: Lin Lin Preview Abstract
Monday, March 13, 2017 3:42PM - 3:54PM		C7.00005: RMG An Open Source Electronic Structure Code for Multi-Petaflops Calculations Emil Briggs, Wenchang Lu, Miroslav Hodak, Jerzy Bernholc Preview Abstract
Monday, March 13, 2017 3:54PM - 4:06PM		C7.00006: GPU-Accelerated Large-Scale Electronic Structure Theory on Titan with a First-Principles All-Electron Code William Paul Huhn, Bj\"{o}rn Lange, Victor Yu, Volker Blum, Seyong Lee, Mina Yoon Preview Abstract
Monday, March 13, 2017 4:06PM - 4:18PM		C7.00007: GPU Acceleration of the Locally Selfconsistent Multiple Scattering Code for First Principles Calculation of the Ground State and Statistical Physics of Materials Markus Eisenbach Preview Abstract
Monday, March 13, 2017 4:18PM - 4:30PM		C7.00008: Performance optimization of Qbox and WEST on Intel Knights Landing Huihuo Zheng, Christopher Knight, Giulia Galli, Marco Govoni, Francois Gygi Preview Abstract
Monday, March 13, 2017 4:30PM - 4:42PM		C7.00009: Enabling Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics in Large-Scale Condensed-Phase Systems Junteng Jia, Alvaro Vazquez-Mayagoitia, Robert A. DiStasio Jr. Preview Abstract
Monday, March 13, 2017 4:42PM - 4:54PM		C7.00010: Large scale electronic structure calculations of nanosystems on supercomputers Lin-Wang Wang Preview Abstract
Monday, March 13, 2017 4:54PM - 5:06PM		C7.00011: Zirconia and its allotropes; A Quantum Monte Carlo study. Andrea Jokisaari, Anouar Benali, Hyeondeok Shin, Ye Luo, Alejandro Lopez Bezanilla, Laura Ratcliff, Peter Littlewood, Olle Heinonen Preview Abstract
Monday, March 13, 2017 5:06PM - 5:18PM		C7.00012: Massively Parallel Spectrum Slicing Eigensolver for Ab Initio Calculations Murat Keceli, Hong Zhang, Fabiano Corsetti, Carmen Campos, Jose Roman, Alvaro Vazquez- Mayagoitia, Peter Zapol, Albert Wagner Preview Abstract
Monday, March 13, 2017 5:18PM - 5:30PM		C7.00013: SNAP: Automated Generation of High-Accuracy Interatomic Potentials using Quantum Data Aidan Thompson, Mitchell Wood, Simon Phillpot 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 C7: Computational Physics at the Petascale and Beyond III

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