output
19922026
most citedFast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

2.4k citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 1996 · cond-mat.mtrl-sciShow all

4 papers · 2 filters

cond-mat.mtrl-sci1996★ 76 cited

The Adsorption of Atomic Nitrogen on Ru(0001): Geometry and Energetics

S. Schwegmann, A. P. Seitsonen, H. Dietrich +4

The local adsorption geometries of the (2x2)-N and the (sqrt(3)x sqrt(3))R30^o -N phases on the Ru(0001) surface are determined by analyzing low-energy electron diffraction (LEED)…

cond-mat.mtrl-sci1996★ 70 cited

Ab initio study of step formation and self-diffusion on Ag(100)

Byung Deok Yu, Matthias Scheffler

Using the plane wave pseudopotential method we performed density functional theory calculations on the stability of steps and self-diffusion processes on Ag(100). Our calculated st…

cond-mat.mtrl-sci1996★ 3 cited

The Equilibrium Shape of Quantum Dots

E. Pehlke, N. Moll, M. Scheffler

The formation of dislocation-free three-dimensional islands during the heteroepitaxial growth of lattice-mismatched materials has been observed experimentally for several material…

cond-mat.mtrl-sci1996

Mechanism of efficient carbon monoxide oxidation at Ru(0001)

C. Stampfl, M. Scheffler

We performed density-functional theory calculations using the generalized gradient approximation for the exhange-correlation functional to investigate the unusual catalytic behavio…