275 citations · 956 across the 11 of their papers we have counts for
12 papers
GPAW: An open Python package for electronic-structure calculations
Jens Jørgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma +44
We review the GPAW open-source Python package for electronic structure calculations. GPAW is based on the projector-augmented wave method and can solve the self-consistent density…
Excitonic insulators and superfluidity in 2D bilayers without external fields
Fredrik Nilsson, Mikael Kuisma, Sahar Pakdel +1
We explore a new platform for realising excitonic insulators, namely van der Waals (vdW) bilayers comprising 2D Janus materials. In previous studies, Type-II heterobilayers have be…
Hot-carrier transfer across a nanoparticle-molecule junction: The importance of orbital hybridization and level alignment
Jakub Fojt, Tuomas P Rossi, Paul Erhart
While direct hot-carrier transfer can increase photo-catalytic activity, it is difficult to discern experimentally and competes with several other mechanisms. To shed light on thes…
Dipolar coupling of nanoparticle-molecule assemblies: An efficient approach for studying strong coupling
Jakub Fojt, Tuomas P. Rossi, Tomasz J. Antosiewicz +2
Strong light-matter interactions facilitate not only emerging applications in quantum and non-linear optics but also modifications of materials properties. In particular the latter…
Real-Time Time-Dependent Density Functional Theory Implementation of Electronic Circular Dichroism Applied to Nanoscale Metal-Organic Clusters
Esko Makkonen, Tuomas P. Rossi, Ask Hjorth Larsen +4
Electronic circular dichroism (ECD) is a powerful spectroscopical method for investigating chiral properties at the molecular level. ECD calculations with the commonly used linear-…
Hot-Carrier Generation in Plasmonic Nanoparticles: The Importance of Atomic Structure
Tuomas P. Rossi, Paul Erhart, Mikael Kuisma
Metal nanoparticles are attractive for plasmon-enhanced generation of hot carriers, which may be harnessed in photochemical reactions. In this work, we analyze the coherent femtose…