APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020;
Denver, Colorado
Session Index
Session A44: Real-Space Methods for the Electronic Structure Problem I
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Sponsoring Units: DCOMP
Chair: James Chelikowsky, University of Texas at Austin
Room: 704
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A44.00001: Exploiting Orbital Locality in Real Space to Enable Large-Scale Condensed-Phase Ab Initio Molecular Dynamics with Hybrid Density Functional Theory
Invited Speaker:
Robert Distasio
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A44.00002: Improving the Scalability of Condensed-Phase Hybrid Density Functional Theory: Computation, Communication, and Load Balancing
Hsin-Yu Ko, Junteng Jia, Marcos Andrade, Zachary Sparrow, Robert Distasio
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A44.00003: SPARC-X: Real-space Density Functional Theory for large length and time scales
Phanish Suryanarayana
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A44.00004: A Scalable Eigensolver for Real-space Pseudopotential Density Functional Theory: A Polynomial-filtered Spectrum Slicing Method
Kai-Hsin Liou, Chao Yang, James Chelikowsky
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A44.00005: Treecode-Accelerated Green's Iteration for Kohn-Sham DFT
Nathan Vaughn, Robert Krasny, Vikram Gavini
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A44.00006: Accelerating real-space methods by discontinuous projection
John Pask, Qimen Xu, Phanish Suryanarayana
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A44.00007: A Space-filling Curve Based Grid Partition to Accelerate Real-space Pseudopotential Density Functional Theory Calculations
Ariel Biller, Kai-Hsin Liou, Deena Roller, Leeor Kronik, James Chelikowsky
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A44.00008: Reduce Noise in Stochastic Density Functional Theory
Ming Chen, Daniel Neuhauser, Roi Baer, Eran Rabani
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A44.00009: A general approach towards continuous translational symmetry in finite difference real-space calculations
Tian Qiu, Leeor Kronik, Andrew Marshall Rappe
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A44.00010: Discrete discontinuous basis projection (DDBP) method for large-scale electronic structure calculations.
Qimen Xu, Phanish Suryanarayana
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A44.00011: Fast all-electron density functional theory calculations in solids using orthogonalized enriched finite elements
Nelson David Rufus, Bikash Kanungo, Vikram Gavini
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