Jeppe Gavnholt

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

Jussi Enkovaara, C. Rostgaard, J. J. Mortensen et al. · Journal of Physics Condensed Matter · 2010 · 2.3K citations

Natural Sciences, Materials Science, Physics +12

<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>Δ</mml:mi></mml:math>self-consistent field method to obtain potential energy surfaces of excited molecules on surfaces

Jeppe Gavnholt, Thomas Olsen, Mads Engelund et al. · Physical Review B · 2008 · 227 citations · Full text

Natural Sciences, Chemistry, Physics +17

Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project

Jens S. Hummelshøj, David D. Landis, Johannes Voss et al. · The Journal of Chemical Physics · 2009 · 87 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +15

Hot-electron-mediated desorption rates calculated from excited-state potential energy surfaces

Thomas Olsen, Jeppe Gavnholt, Jakob Schiøtz · Physical Review B · 2009 · 70 citations · Full text

Natural Sciences, Chemistry, Physics +17

Structure and reactivity of ruthenium nanoparticles

Jeppe Gavnholt, Jakob Schiøtz · Physical Review B · 2008 · 68 citations · Full text

Natural Sciences, Chemistry, Materials Science +17