275 citations · 376 across the 7 of their papers we have counts for
7 papers
rhodent: A Python package for analyzing real-time TDDFT response
Jakub Fojt, Tuomas P. Rossi, Paul Erhart
Real-time time-dependent density functional theory (rt-TDDFT) is a well-established method for studying the dynamic response of matter in the femtosecond or optical range. In this…
Controlling Plasmonic Catalysis via Strong Coupling with Electromagnetic Resonators
Jakub Fojt, Paul Erhart, Christian Schäfer
Plasmonic excitations decay within femtoseconds, leaving non-thermal (often referred to as "hot") charge carriers behind that can be injected into molecular structures to trigger c…
Tailoring hot-carrier distributions of plasmonic nanostructures through surface alloying
Jakub Fojt, Tuomas P. Rossi, Priyank V. Kumar +1
Alloyed metal nanoparticles are a promising platform for plasmonically enabled hot-carrier generation, which can be used to drive photochemical reactions. Although the non-plasmoni…
Machine Learning for Polaritonic Chemistry: Accessing chemical kinetics
Christian Schäfer, Jakub Fojt, Eric Lindgren +1
Altering chemical reactivity and material structure in confined optical environments is on the rise, and yet, a conclusive understanding of the microscopic mechanisms remains elusi…
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…
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…