The Ruzsinszky Group is interested in method development and computational simulations. Method development and tests largely focus on density functional theory (DFT), self-interaction-corrected DFT and on nonlocal frequency-dependent kernels for linear response time-dependent density functional theory (TDDFT), as well the application of many body perturbation theory.
Our work within DFT encompasses development of meta-GGA density functional approximations specifically for improved fundamental band gaps and applications on band offset of interfaces. We are particularly interested in metal-semiconductor/insulator heterostructures relevant in contact engineering.
Our work in self-interaction-corrected DFT deals with systems exposed to self-interaction such as valence and core ionization energies, and the electronic structure of transition metal oxides.
Our TDDFT work addresses the development of model kernels for excitonic effects in low-dimensional materials, defect excited states, coupling of excitons, frequency dependence in the screened Coulomb interaction, damping of quasiparticles, double plasmon excitations, and multiple excitations in open-shell molecules, closed- shell systems, and strongly correlated or topological materials.
We extensively use the GW/BSE methods to generate accurate electronic and optical response properties in low-dimensional nanostructures with enhanced excitonic effects relevant to photovoltaics and solar cells.
I have no graduate research assistant and postdoc openings at this time.
I won't respond to inquiries about positions.