Tuesday, March 16, 2021
11:30AM - 12:06PM
Live
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F19.00001: Towards an Accurate and Efficient Order-N Framework for Real-Space Condensed-Phase Hybrid Density Functional Theory
Invited Speaker:
Robert Distasio
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Tuesday, March 16, 2021
12:06PM - 12:18PM
Live
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F19.00002: Accelerating real-space methods by discontinuous projection
John Pask, Qimen Xu, Phanish Suryanarayana
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Tuesday, March 16, 2021
12:18PM - 12:30PM
Live
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F19.00003: Polynomial-filtered Spectrum Slicing Method for Real-space Pseudopotential Density Functional Theory Calculations
James Chelikowsky, Kai-Hsin Liou, Chao Yang
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Tuesday, March 16, 2021
12:30PM - 12:42PM
Live
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F19.00004: Space-filling Curves for Real-space Pseudopotential Density Functional Theory Calculations
Kai-Hsin Liou, Ariel Biller, Leeor Kronik, James Chelikowsky
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Tuesday, March 16, 2021
12:42PM - 12:54PM
Live
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F19.00005: Real-space Density Functional Theory for large length and time scales
Phanish Suryanarayana
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Tuesday, March 16, 2021
12:54PM - 1:06PM
Live
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F19.00006: General Approach for Reducing Continuous Translational Symmetry Errors in Finite Difference Real-Space Calculations
Tian Qiu, Leeor Kronik, Andrew Marshall Rappe
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Tuesday, March 16, 2021
1:06PM - 1:18PM
Live
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F19.00007: Configurational forces in density functional theory calculations using orthogonalized enriched finite elements.
Nelson David Rufus, Vikram Gavini
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Tuesday, March 16, 2021
1:18PM - 1:30PM
Live
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F19.00008: Boost Efficiency for Stochastic Density Functional Theory with a Unified Strategy
Ming Chen, Roi Baer, Daniel Neuhauser, Eran Rabani
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Tuesday, March 16, 2021
1:30PM - 1:42PM
Live
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F19.00009: An improved method for computing dynamical conductivity
Minsu Ghim, Ji Hoon Ryoo, Cheol-Hwan Park
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Tuesday, March 16, 2021
1:42PM - 1:54PM
Live
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F19.00010: Enabling Linear Scaling Exact Exchange for Heterogeneous Systems
Hsin-Yu Ko, Zachary Sparrow, Marcos Andrade, Owen L. Crane, Brian Ernst, Peace Kotamnives, Yan Yang, Yang Yang, Eric G. Fuemmeler, Robert Distasio
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Tuesday, March 16, 2021
1:54PM - 2:06PM
Live
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F19.00011: Maximally Localized Wannier Functions for Strictly Local Projectors
Pratik Sathe, Fenner Harper, Rahul Roy
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Tuesday, March 16, 2021
2:06PM - 2:18PM
Live
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F19.00012: Electronic structure of dimers at finite temperature with density matrix quantum Monte Carlo
Hayley Petras, William Van Benschoten, James Shepherd
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