171 citations · 434 across the 20 of their papers we have counts for
20 papers
Phonon-mediated relaxation in nanomaterials from combining Density Functional Theory based non-adiabatic molecular dynamics with Kadanoff-Baym-Keldysh technique
Hadassah Griffin, Andrei Kryjevski
Boltzmann transport equation (BE) is a potent approach to dynamics of a photoexcited (nano)material. BE collision integrals for different relaxation channels can be systematically…
Biexciton State Energies from Many-Body Perturbation Theory Based on Density Functional Theory Simulation
Deyan Mihaylov, Andrei Kryjevski
We develop a method for computing self-energy of a biexciton state in a semiconductor nanostructure using many-body perturbation theory (MBPT) based on the density functional theor…
Electronic structure of semiconductor nanoparticles from stochastic evaluation of imaginary-time path integral
Andrei Kryjevski, Thomas Luu, Valentin Karasiev
In the Kohn-Sham orbital basis imaginary-time path integral for electrons in a semiconductor nanoparticle has a mild Fermion sign problem and is amenable to evaluation by the stand…
Multiple Exciton Generation in Chiral Carbon Nanotubes: Density Functional Theory Based Computation
Andrei Kryjevski, Deyan Mihaylov, Svetlana Kilina +1
We use Boltzmann transport equation (BE) to study time evolution of a photo-excited state in a nanoparticle including phonon-mediated exciton relaxation and the multiple exciton ge…
Singlet Fission in Chiral Carbon Nanotubes: Density Functional Theory Based Computation
Andrei Kryjevski, Deyan Mihaylov, Brendan Gifford +1
Singlet fission (SF) process, where a singlet exciton decays into a pair of spin one exciton states which are in the total spin singlet state, is one of the possible channels for m…
Enhanced Multiple Exciton Generation in Amorphous Silicon Nanoparticles
Andrei Kryjevski, Dmitri Kilin
Multiple exciton generation (MEG) in nanometer-sized hydrogen-passivated silicon nanowires (NWs), and quasi two-dimensional nanofilms strongly depends on the degree of the core str…