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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 |