Magnetic coupling constants from a hybrid density functional with 35% Hartree-Fock exchange

Published versio

First-principles study of H intercalation in rutile TiO2

Published versio

The stability of polar oxide surfaces: The interaction of H2O with ZnO(0001) and ZnO(000(1)over-bar)

Published versio

Electronic structure of III-V’s semiconductors from B3LYP and PBE0 functionals

Published versio

Magnetic moment and coupling mechanism of iron-doped rutile TiO2 from first principles

Published versio

Optimizing energy-performance trade-offs in solar-powered edge devices

Power modes can be used to save energy in electronic devices but a low power level typically degrades performance. This trade-off is addressed in the so-called EP-queue model, which is a queue depth dependent M/GI/1 queue augmented with power-down and power-up phases of operation. The ability to change service times by power settings allows us to leverage a Markov Decision Process (MDP), which approach we illustrate using a simple fully solar-powered case study with finite states representing levels of battery charge and solar intensity

Stability of rocksalt polar surfaces: An ab initio study of MgO(111) and NiO(111)

Published versio

Electronic and magnetic structure of LaMnO3 from hybrid periodic density-functional theory

Published versio