96 citations · 129 across the 5 of their papers we have counts for
5 papers
Krylov integrators for Hamiltonian systems
Antti Koskela
We consider Arnoldi like processes to obtain symplectic subspaces for Hamiltonian systems. Large systems are locally approximated by ones living in low dimensional subspaces; we es…
Direct Minimization for Ensemble Electronic Structure Calculations
K. Baarman, V. Havu, T. Eirola
We consider a direct optimization approach for ensemble density functional theory electronic structure calculations. The update operator for the electronic orbitals takes the struc…
Direct minimization of electronic structure calculations with Householder reflections
K. Baarman, T. Eirola, V. Havu
We consider a minimization scheme based on the Householder transport operator for the Grassman manifold, where a point on the manifold is represented by a m x n matrix with orthono…
On the stability of two-chunk file-sharing systems
Ilkka Norros, Hannu Reittu, Timo Eirola
We consider five different peer-to-peer file sharing systems with two chunks, with the aim of finding chunk selection algorithms that have provably stable performance with any inpu…
Three real-space discretization techniques in electronic structure calculations
T. Torsti, T. Eirola, J. Enkovaara +13
A characteristic feature of the state-of-the-art of real-space methods in electronic structure calculations is the diversity of the techniques used in the discretization of the rel…