activity
20182022
most citedNonlocal van der Waals functionals for solids: Choosing an appropriate one

94 citations · 94 across the 3 of their papers we have counts for

collaborators

5 papers

cs.SD2022

Hierarchical Linear Dynamical System for Representing Notes from Recorded Audio

Leila Kalantari, Jose Principe, Kathryn E. Sieving

We seek to develop simultaneous segmentation and classification of notes from audio recordings in presence of outliers. The selected architecture for modeling time series is hierar…

cs.LG2021

Uncertainty quantification for multiclass data description

Leila Kalantari, Jose Principe, Kathryn E. Sieving

In this manuscript, we propose a multiclass data description model based on kernel Mahalanobis distance (MDD-KM) with self-adapting hyperparameter setting. MDD-KM provides uncertai…

cond-mat.mtrl-sci2019

Semilocal exchange-correlation potentials for solid-state calculations: Current status and future directions

Fabien Tran, Jan Doumont, Leila Kalantari +3

Kohn-Sham (KS) density functional theory (DFT) is a very efficient method for calculating various properties of solids as, for instance, the total energy, the electron density, or…

cond-mat.mtrl-sci201994 cited

Nonlocal van der Waals functionals for solids: Choosing an appropriate one

Fabien Tran, Leila Kalantari, Boubacar Traoré +2

The nonlocal van der Waals (NL-vdW) functionals [Dion et al., Phys. Rev. Lett. 92, 246401 (2004)] are being applied more and more frequently in solid-state physics, since they have…

cond-mat.mtrl-sci2018

Orbital-free approximations to the kinetic-energy density in exchange-correlation MGGA functionals: tests on solids

Fabien Tran, Péter Kovács, Leila Kalantari +2

A recent study of Mejia-Rodriguez and Trickey [Phys. Rev. A 96, 052512 (2017)] showed that the deorbitalization procedure (replacing the exact Kohn-Sham kinetic-energy density by a…