Bulletin of the American Physical Society

APS March Meeting 2021

Volume 66, Number 1

Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA

Session Index

Session C19: Density Functional Theory and Beyond I

Live

Show Abstracts

Sponsoring Units: DCOMP DCP DCMP DPOLY
Chair: James Furness, Tulane Univ

Monday, March 15, 2021 3:00PM - 3:12PM Live		C19.00001: A spectral scheme for Kohn-Sham Density Functional Theory of helical structures Shivang Agarwal, Amartya Banerjee
Monday, March 15, 2021 3:12PM - 3:24PM Live		C19.00002: Dissociation limit and the scaled-down self-interaction correction Santosh Adhikari, Biswajit Santra, Kushantha Withanage, Koblar Alan Jackson, Adrienn Ruzsinszky
Monday, March 15, 2021 3:24PM - 3:36PM Live		C19.00003: Kinetic energy density using machine learning for orbital-free density functional calculations Mohammed Al Ghadeer, Abdulaziz Al-Aswad, Fahhad Alharbi
Monday, March 15, 2021 3:36PM - 3:48PM Live		C19.00004: Machine learning accurate exchange and correlation functionals of the electronic density Sebastian Dick, Marivi Fernandez
Monday, March 15, 2021 3:48PM - 4:00PM Live		C19.00005: Data-Driven Exchange-Correlation Functional Design for Transferability and Interpretability Kyle Bystrom, Boris Kozinsky
Monday, March 15, 2021 4:00PM - 4:12PM Live		C19.00006: New approximations for the exchange-correlation potential using connector theory Ayoub Aouina, Matteo Gatti, Lucia Reining
Monday, March 15, 2021 4:12PM - 4:24PM Live		C19.00007: Enhancing the accuracy of interior-scaled Perdew-Zunger self-interaction correction Puskar Bhattarai, Biswajit Santra, Kamal Wagle, Yoh Yamamoto, Rajendra R Zope, Koblar Jackson, John Perdew
Monday, March 15, 2021 4:24PM - 4:36PM Live		C19.00008: Accelerate stochastic calculation of random-phase approximation correlation energy difference with atom-based correlated sampling Yu-Chieh Chi, Chen Huang
Monday, March 15, 2021 4:36PM - 4:48PM Live		C19.00009: Can the Hartree-Fock kinetic energy exceed the true kinetic energy? Steven Crisostomo, Mel Levy, Kieron Burke
Monday, March 15, 2021 4:48PM - 5:00PM Live		C19.00010: Self-consistency in the Fermi-Löwdin orbital self-interaction correction method using the Krieger-Li-Iafrate approximation Carlos Diaz, Tunna Baruah, Rajendra R Zope
Monday, March 15, 2021 5:00PM - 5:12PM Live		C19.00011: Assessing Local Hybrid Density Functionals for the Prediction of Exchange Coupling Constants in Transition Metal Complexes Henry Fitzhugh, James Furness, Jianwei Sun
Monday, March 15, 2021 5:12PM - 5:24PM Live		C19.00012: Towards an orbital-free kinetic energy density functional for molecular systems Omololu Akin-Ojo
Monday, March 15, 2021 5:24PM - 5:36PM Live		C19.00013: Building a database of two-dimensional material properties using the SCAN functional Can Ataca, Daniel Wines, Gracie Chaney, Jaron A Kropp, Fatih Ersan
Monday, March 15, 2021 5:36PM - 5:48PM Live		C19.00014: Non-additive kinetic potential functional V^nadfrom analytic inversion: all-electron and pseudopotential calculations Mojdeh Banafsheh, Leeor Kronik, Tim Gould, Tomasz Adam Wesolowski, David A Strubbe
Monday, March 15, 2021 5:48PM - 6:00PM Live		C19.00015: Investigation of Electronic and Optical Properties of Copper-Cysteamine with Halogens Noura Alkhaldi, Muhammad Huda, Wei Chen, Nil Kanatha Pandey, Manbo Zhang

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Bulletin of the American Physical Society

APS March Meeting 2021

Volume 66, Number 1

Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA

Session Index

Session C19: Density Functional Theory and Beyond I

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