APS March Meeting 2019
Volume 64, Number 2
Monday–Friday, March 4–8, 2019;
Boston, Massachusetts
Session Index
Session C31: DFT, Embedding, and, Beyond (ES1)
Focus Session
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Show Abstracts |
Sponsoring Units: DCP
Chair: Timothy Berkelbach, University of Chicago
Room: BCEC 203
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Monday, March 4, 2019
2:30PM - 3:06PM
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C31.00001: Projection-based quantum embedding for periodic systems
Invited Speaker:
Jason Goodpaster
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Monday, March 4, 2019
3:06PM - 3:18PM
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C31.00002: Density Matrix Embedding Theory for Strongly Correlated Solids
Hung Pham, Laura Gagliardi
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Monday, March 4, 2019
3:18PM - 3:30PM
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C31.00003: Embedded cluster density approximation for exchange-correlation energy: a natural extension of the local density approximation
Chen Huang
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Monday, March 4, 2019
3:30PM - 3:42PM
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C31.00004: Polaron Modulated Electronic Structures of Doped La2CuO4 by Self-Interaction Corrected Density Funcional Theory Approach
Qiushi Yao, Qihang Liu
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Monday, March 4, 2019
3:42PM - 3:54PM
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C31.00005: Head-to-head comparison of spectral properties of transition-metal oxides using DFT and
beyond-DFT methods
Subhasish Mandal, G.L. Pascut, Kristjan Haule, Karin Rabe, David Vanderbilt
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Monday, March 4, 2019
3:54PM - 4:06PM
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C31.00006: Bridging molecular dynamics and correlated wave-function methods for accurate finite-temperature properties
Dario Rocca, Anant Dixit, Michael Badawi, Sébastien Lebègue, Tim Gould, Tomáš Bučko
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Monday, March 4, 2019
4:06PM - 4:18PM
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C31.00007: Towards a molecular-level understanding of metal-like conductivity in bacterial protein nanowires
Peter Dahl, Atanu Acharya, Sibel Ebru Yalcin, Sophia Yi, J. Patrick O'brien, Victor Batista, Nikhil Malvankar
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Monday, March 4, 2019
4:18PM - 4:54PM
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C31.00008: A finite-field approach to performing GW calculations and solving the Bethe-Salpeter equation
Invited Speaker:
Giulia Galli
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