18 citations · 18 across the 1 of their papers we have counts for
4 papers
Exploring organic semiconductors in solution: The effects of solvation, alkylization, and doping
Jannis Krumland, Ana M. Valencia, Caterina Cocchi
The first-principles simulation of the electronic structure of organic semiconductors in solution poses a number of challenges that are not trivial to address simultaneously. In th…
LayerPCM: An implicit scheme for dielectric screening from layered substrates
Jannis Krumland, Gabriel Gil, Stefano Corni +1
We present LayerPCM, an extension of the polarizable-continuum model coupled to real-time time-dependent density-functional theory for an efficient and accurate description of the…
Ultrafast charge transfer and vibronic coupling in a laser-excited hybrid inorganic/organic interface
Matheus Jacobs, Jannis Krumland, Ana M. Valencia +3
Hybrid interfaces formed by inorganic semiconductors and organic molecules are intriguing materials for opto-electronics. Interfacial charge transfer is primarily responsible for t…
Understanding real-time time-dependent density-functional theory simulations of ultrafast laser-induced dynamics in organic molecules
Jannis Krumland, Ana M. Valencia, Stefano Pittalis +2
Real-time time-dependent density functional theory, in conjunction with the Ehrenfest molecular dynamics scheme, is becoming a popular methodology to investigate ultrafast phenomen…