231 citations · 1.3k across the 28 of their papers we have counts for
28 papers
Kohn-Sham decomposition in real-time time-dependent density-functional theory: An efficient tool for analyzing plasmonic excitations
Tuomas P. Rossi, Mikael Kuisma, Martti J. Puska +2
The real-time-propagation formulation of time-dependent density-functional theory (RT-TDDFT) is an efficient method for modeling the optical response of molecules and nanoparticles…
Effect of interface geometry on electron tunnelling in Al/AlO/Al junctions
M Koberidze, A V Feshchenko, M J Puska +2
We investigate how different interface geometries of an Al/AlO junction, a common component of modern tunnel devices, affect electron transport through the tunnel barrier.…
Nanoplasmonics simulations at the basis set limit through completeness-optimized, local numerical basis sets
Tuomas P. Rossi, Susi Lehtola, Arto Sakko +2
We present an approach for generating local numerical basis sets of improving accuracy for first-principles nanoplasmonics simulations within time-dependent density functional theo…
Quantized evolution of the plasmonic response in a stretched nanorod
Tuomas P. Rossi, Asier Zugarramurdi, Martti J. Puska +1
Quantum aspects, such as electron tunneling between closely separated metallic nanoparticles, are crucial for understanding the plasmonic response of nanoscale systems. We explore…
d0 Ferromagnetic Interface Between Non-magnetic Perovskites
R. Oja, M. Tyunina, L. Yao +8
We use computational and experimental methods to study d0 ferromagnetism at a charge- imbalanced interface between two perovskites. In SrTiO3/KTaO3 superlattice calculations, the c…
Fast convergence to equilibrium for long-chain polymer melts using a MD/continuum hybrid method
Yasuhiro Senda, Miyuki Fujio, Shuji Shimamura +2
Effective and fast convergence toward an equilibrium state for long-chain polymer melts is realized by a hybrid method coupling molecular dynamics and the elastic continuum. The re…