477 citations · 4.6k across the 66 of their papers we have counts for
4 papers · 1 filter
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…
libvdwxc: A library for exchange-correlation functionals in the vdW-DF family
Ask Hjorth Larsen, Mikael Kuisma, Joakim Löfgren +3
We present libvdwxc, a general library for evaluating the energy and potential for the family of vdW-DF exchange--correlation functionals. libvdwxc provides an efficient implementa…
Mechanism of Re precipitation in irradiated W-Re alloys from kinetic Monte Carlo simulations
Chen-Hsi Huang, Leili Gharaee, Yue Zhao +2
High-temperature, high-dose, neutron irradiation of W results in the formation of Re-rich clusters at concentrations one order of magnitude lower than the thermodynamic solubility…
atomicrex - A general purpose tool for the construction of atomic interaction models
Alexander Stukowski, Erik Fransson, Markus Mock +1
We introduce atomicrex, an open-source code for constructing interatomic potentials as well as more general types of atomic-scale models. Such effective models are required to simu…