U. Gerstmann

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi, Stefano Baroni, Nicola Bonini et al. · Journal of Physics Condensed Matter · 2009 · 28K citations · Full text

Engineering, Material Simulation, Computational Chemistry +19

Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi, Stefano Baroni, Nicolao Bonini et al. · SPIRE - Sciences Po Institutional REpository · 2009 · 1.1K citations · Full text

Optically excited structural transition in atomic wires on surfaces at the quantum limit

T. Frigge, B. Hafke, T. Witte et al. · Nature · 2017 · 131 citations

Quantum Science, Excited State Property, Quantum Photonics +11

First-principles theory of orbital magnetization

Davide Ceresoli, U. Gerstmann, Ari P. Seitsonen et al. · Physical Review B · 2010 · 93 citations · Full text

Engineering, Magnetic Resonance, Chemistry +16

Approximate density-functional calculations of spin densities in large molecular systems and complex solids

Christof Köhler, Gotthard Seifert, U. Gerstmann et al. · Physical Chemistry Chemical Physics · 2001 · 90 citations

Solid State Systems, Engineering, Spin Densities +19