V
Ville Havu
Researcher at Aalto University
Publications - 50
Citations - 4064
Ville Havu is an academic researcher from Aalto University. The author has contributed to research in topics: Finite element method & Matrix (mathematics). The author has an hindex of 20, co-authored 47 publications receiving 3311 citations. Previous affiliations of Ville Havu include Max Planck Society & Helsinki University of Technology.
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Journal ArticleDOI
Ab Initio Molecular Simulations with Numeric Atom-Centered Orbitals
Volker Blum,Ralf Gehrke,Felix Hanke,Paula Havu,Ville Havu,Xinguo Ren,Karsten Reuter,Matthias Scheffler +7 more
TL;DR: The construction of transferable, hierarchical basis sets are demonstrated, allowing the calculation to range from qualitative tight-binding like accuracy to meV-level total energy convergence with the basis set, since all basis functions are strictly localized.
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Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions
TL;DR: It is shown that a conceptually simple top-down grid partitioning scheme achieves essentially the same efficiency as the more rigorous bottom-up approaches.
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The ELPA library: scalable parallel eigenvalue solutions for electronic structure theory and computational science
Andreas Marek,Volker Blum,Volker Blum,R. Johanni,Ville Havu,Bruno Lang,T. Auckenthaler,Alexander Heinecke,Hans-Joachim Bungartz,Hermann Lederer +9 more
TL;DR: The Eigenvalue soLvers for Petascale Applications (ELPA) as discussed by the authors is a library for solving symmetric and Hermitian eigenvalue problems for dense matrices that have real-valued and complex-valued matrix entries.
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Effect of Alkali Metal Atom Doping on the CuInSe2-Based Solar Cell Absorber
TL;DR: In this paper, the effects of the AM elements Li, Na, K, Rb, and Cs on the properties of the parent material CuInSe2 have been investigated in terms of formation energies, charge transition levels, and migration energy barriers.
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Three real-space discretization techniques in electronic structure calculations
T. Torsti,T. Torsti,Timo Eirola,J. Enkovaara,Tommi K. Hakala,P. Havu,Ville Havu,Tommi Höynälänmaa,J. Ignatius,M. Lyly,Ilja Makkonen,Tapio T. Rantala,Janne Ruokolainen,Keijo Ruotsalainen,Esa Räsänen,Esa Räsänen,Henri Saarikoski,Martti J. Puska +17 more
TL;DR: This paper reports on the results of several code development projects that approach problems related to the electronic structure using these three different discretization methods, reviewing the ideas behind these methods, and discussing their similarities and differences.