P. Havu

Ab initio molecular simulations with numeric atom-centered orbitals

Volker Blüm, Ralf Gehrke, Felix Hanke et al. · Computer Physics Communications · 2009 · 2.8K citations · Full text

Engineering, Computational Chemistry, Chemistry +16

Efficient integration for all-electron electronic structure calculation using numeric basis functions

Ville Havu, Volker Blüm, P. Havu et al. · Journal of Computational Physics · 2009 · 581 citations

Numerical Analysis, Electrical Engineering, Numerical Computation +11

Core level binding energies of functionalized and defective graphene

Toma Susi, Markus Kaukonen, P. Havu et al. · Beilstein Journal of Nanotechnology · 2014 · 88 citations · Full text

Large-scale surface reconstruction energetics of Pt(100) and Au(100) by all-electron density functional theory

P. Havu, Volker Blüm, Ville Havu et al. · Physical Review B · 2010 · 64 citations · Full text

Engineering, Computational Chemistry, Electronic Structure +17

Nonequilibrium electron transport in two-dimensional nanostructures modeled using Green’s functions and the finite-element method

P. Havu, Ville Havu, M. J. Puska et al. · Physical Review B · 2004 · 62 citations · Full text

Engineering, Computational Nanostructure Modeling, Nonequilibrium Electron Transport +21