APS March 2021 Schedule

Note: times are given in CST.

Henry Fitzhugh Monday, 3/15 5:00pm Assessing Local Hybrid Density Functionals for the Prediction of Exchange Coupling Constants in Transition Metal Complexes
Ruiqi Zhang Tuesday, 3/16 11:30am Understanding the Quantum Oscillation Spectrum of Heavy-fermion Compound SmB6
James Furness Tuesday, 3/16 3:12pm Accurate and numerically efficient r2SCAN meta-generalized gradient approximation
Lin Hou Tuesday, 3/16 5:36pm Magnetic oxygen in transition metal oxides: A case study of Ba2CoO4
Manish Kothakonda Tuesday, 3/16 5:48pm An efficient density functional for accurate molecular chemisorption and physisorption on transition metal surfaces
Jianwei Sun Thursday, 3/18 8:12am DFT error origins in open-shell d- and f-electron compounds revealed from SCAN’s performance: self-interaction error, strong correlation, or both?
Jinliang Ning Thursday, 3/18 9:36am Accurate lattice dynamics of cuprates from first principles
Luis Lopez Macias Thursday, 3/18 10:36am Reverse-Engineering the Exchange-Correlation hole for the SCAN and r2SCAN Functional
Jamin Kidd Thursday, 3/18 12:42pm Strong correlation effect in DFT-based topological characterization of Weyl-Kondo semimetals
Kanun Pokharel Friday, 3/19 10:24am Constrained Machine Learning de-orbitalization of meta-GGA exchange-correlation functionals