APS March Meeting 2020
Volume 65, Number 1
Monday–Friday, March 2–6, 2020;
Denver, Colorado
Session Index
Session B58: DFT and Beyond II
Focus Session
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Sponsoring Units: DCP DCOMP DPOLY DCMP
Chair: Adam Wasserman, Purdue Univ
Room: Mile High Ballroom 3B
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B58.00001: On the Constrained Search-Coordinate Scaling Formulations in DFT
Invited Speaker:
Mel Levy
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B58.00002: Essential difference between the machine learning and artificial Kohn-Sham potentials
Ryo Nagai, Kieron Burke, Ryosuke Akashi, Osamu Sugino
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B58.00003: Machine learning accurate exchange and correlation functionals of the electronic density
Sebastian Dick, Marivi Fernandez Serra
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B58.00004: Constrained Machine Learning de-orbitalization of meta-GGA exchange-correlation functionals
Kanun Pokharel, James Furness, Jianwei Sun
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B58.00005: Semiclassical Approximation to Sums of Eigenvalues with Application to DFT
Pavel Okun, Kieron Burke
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B58.00006: Progress in the Development of Advanced Temperature-Dependent Free-Energy Density Functionals Beyond the Generalized Gradient Approximation
Deyan Mihaylov, Brenda McLellan, Valentin V Karasiev, Suxing Hu
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B58.00007: Symmetry-Breaking Polymorphous Descriptions for Correlated Materials without Interelectronic U
Yubo Zhang, James Furness, Ruiqi Zhang, Zhi Wang, Alex Zunger, Jianwei Sun
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B58.00008: A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction
Rajendra Zope, Yoh Yamamoto, Carlos Diaz, Tunna Baruah, Juan Peralta, Koblar Alan Jackson, Biswajit Santra, John P. Perdew
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B58.00009: Kohn-Sham effective potentials from FLOSIC using Ryabinkin-Kohut-Staroverov method
Carlos Diaz, Luis Basurto, Rajendra Zope
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B58.00010: Performance of scaled self-interaction correction to semilocal functionals
Puskar Bhattarai, Chandra Shahi, Kamal Wagle, Biswajit Santra, John P. Perdew
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