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 D27: Focus Session: High Performance Computing in Density Functional Theory	Show Abstracts
Sponsoring Units: DCOMP DCP Chair: Aldo Romero, West Virginia University Room: 501

Monday, March 3, 2014 2:30PM - 3:06PM		D27.00001: Accuracy, Speed, Scalability: the Challenges of Large-Scale DFT Simulations Invited Speaker: Francois Gygi Preview Abstract
Monday, March 3, 2014 3:06PM - 3:18PM		D27.00002: Challenges and advances in large-scale DFT calculations on GPUs Heather Kulik Preview Abstract
Monday, March 3, 2014 3:18PM - 3:30PM		D27.00003: Implementation of the Small Box Fast Fourier Transformation Method within Orbital-Free Density Functional Theory Mohan Chen, Xiang-Wei Jiang, Lin-Wang Wang, Emily Carter Preview Abstract
Monday, March 3, 2014 3:30PM - 3:42PM		D27.00004: Planning the next generation of density functional codes Grady Schofield, James R. Chelikowsky, Yousef Saad Preview Abstract
Monday, March 3, 2014 3:42PM - 3:54PM		D27.00005: High Performance Computing for Large Systems: Using Real Space Pseudopotentials for Metal-Semiconductor Interfaces Jaime Souto, James R. Chelikowsky, Tzu-Liang Chan, Kai-Ming Ho, Cai-Zhuang Wang, Shengbai Zhang Preview Abstract
Monday, March 3, 2014 3:54PM - 4:06PM		D27.00006: Linear-Scaling Density Functional Theory Simulations of Nanomaterials with the ONETEP code: vdW-DF and PAW methodology and OpenMP/MPI hybrid parallelism Nicholas Hine, Gabriel Constantinescu, Mike Payne, Lampros Andrinopoulos, Arash Mostofi, Peter Haynes, Karl Wilkinson, Jacek Dziedzic, Chris-Kriton Skylaris Preview Abstract
Monday, March 3, 2014 4:06PM - 4:18PM		D27.00007: Plane Wave First-principles Materials Science Codes on Multicore Supercomputer Architectures Andrew Canning, Jack Deslippe, Steven.G. Louie Preview Abstract
Monday, March 3, 2014 4:18PM - 4:54PM		D27.00008: ABINIT: Plane-Wave-Based Density-Functional Theory on High Performance Computers Invited Speaker: Marc Torrent Preview Abstract
Monday, March 3, 2014 4:54PM - 5:06PM		D27.00009: MBPT calculations with ABINIT Matteo Giantomassi, Georg Huhs, David Waroquiers, Xavier Gonze Preview Abstract
Monday, March 3, 2014 5:06PM - 5:18PM		D27.00010: SIESTA-PEXSI: Massively parallel method for efficient and accurate ab initio materials simulation Lin Lin, Georg Huhs, Alberto Garcia, Chao Yang Preview Abstract
Monday, March 3, 2014 5:18PM - 5:30PM		D27.00011: A linear-scaling implementation of time-dependent density-functional theory (TDDFT) in the linear-response formalism Tim Zuehlsdorff, Nicholas Hine, James Spencer, Nicholas Harrison, Jason Riley, Peter Haynes 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 D27: Focus Session: High Performance Computing in Density Functional Theory

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