Anders M. N. Niklasson

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

B. Hourahine, Bálint Aradi, Volker Blüm et al. · The Journal of Chemical Physics · 2020 · 1.1K citations · Full text

Quantum Dynamic, Engineering, Material Simulation +21

Order-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="italic">N</mml:mi></mml:math>Green's Function Technique for Local Environment Effects in Alloys

Igor A. Abrikosov, Anders M. N. Niklasson, S. I. Simak et al. · Physical Review Letters · 1996 · 214 citations · Full text

Quantum Lattice System, Engineering, Material Simulation +22

Extended Born-Oppenheimer Molecular Dynamics

Anders M. N. Niklasson · Physical Review Letters · 2008 · 163 citations

Time-Reversible Born-Oppenheimer Molecular Dynamics

Anders M. N. Niklasson, C. J. Tymczak, Matt Challacombe · Physical Review Letters · 2006 · 150 citations · Full text

Quantum Dynamic, Quantum Science, Excited State Property +15

Expansion algorithm for the density matrix

Anders M. N. Niklasson · Physical review. B, Condensed matter · 2002 · 144 citations · Full text