182 citations · 722 across the 69 of their papers we have counts for
5 papers · 1 filter
Efficient optimization of perturbative gadgets
Yudong Cao, Sabre Kais
Perturbative gadgets are general techniques for reducing many-body spin interactions to two-body ones using perturbation theory. This allows for potential realization of effective…
An Efficient Descriptor Model for Designing Materials for Solar Cells
Fahhad H Alharbi, Sergey N Rashkeev, Fedwa El-Mellouhi +3
An efficient descriptor model for fast screening of potential materials for solar cell applications is presented. It works for both excitonic and non-excitonic solar cells material…
Kinetic Energy Density Functionals by Axiomatic Approach
Sabre Kais, Fahhad H Alharbi
An axiomatic approach is herein used to determine the physically acceptable forms for general -dimensional kinetic energy density functionals (KEDF). The resulted expansion capt…
Reduced work function of graphene by metal adatoms
Merid Legesse, Fedwa El Mellouhi, El Tayeb Bentria +4
In this paper, the work function of graphene doped by different metal adatoms and at different concentrations is investigated. Density functional theory is used to maximize the red…
Electronic Structure Calculations and the Ising Hamiltonian
Rongxin Xia, Teng Bian, Sabre Kais
The exact solution of the Schrodinger equation for atoms, molecules and extended systems continues to be a "Holy Grail" problem for the field of atomic and molecular physics since…