2.4k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Max Planck SocietyDE178 papers
- Freie Universität BerlinDE80 papers
- Centre National de la Recherche ScientifiqueFR67 papers
- University of the Basque CountryES53 papers
- Technische Universität BerlinDE51 papers
- Goethe University FrankfurtDE42 papers
- Deutsches Elektronen-Synchrotron DESYDE39 papers
- Humboldt-Universität zu BerlinDE37 papers
- Material Physics CenterES36 papers
- Max Planck Institute for the Structure and Dynamics of MatterDE35 papers
- Technical University of MunichDE31 papers
- Lawrence Berkeley National LaboratoryUS30 papers
12 papers · 1 filter
Dissociation of O2 at Al(111): The Role of Spin Selection Rules
Joerg Behler, Bernard Delley, Soenke Lorenz +2
A most basic and puzzling enigma in surface science is the description of the dissociative adsorption of O2 at the (111) surface of Al. Already for the sticking curve alone, the di…
Noise-Induced Transition from Translational to Rotational Motion of Swarms
Udo Erdmann, Werner Ebeling, Alexander S. Mikhailov
We consider a model of active Brownian agents interacting via a harmonic attractive potential in a two-dimensional system in the presence of noise. By numerical simulations, we sho…
Image states in metal clusters
Patrick Rinke, Kris Delaney, P. Garcia-Gonzalez +1
The existence of image states in small clusters is shown, using a quantum-mechanical many-body approach. We present image state energies and wave functions for spherical jellium cl…
Describing static correlation in bond dissociation by Kohn-Sham density functional theory
M. Fuchs, Y. -M. Niquet, X. Gonze +1
We show that density functional theory within the RPA (random phase approximation for the exchange-correlation energy) provides a correct description of bond dissociation in H…
The steady-state of heterogeneous catalysis, studied by first-principles statistical mechanics
Karsten Reuter, Daan Frenkel, Matthias Scheffler
The turn-over frequency of the catalytic oxidation of CO at RuO2(110) was calculated as function of temperature and partial pressures using ab initio statistical mechanics. The und…
Quantum-Classical Limit of Quantum Correlation Functions
Alessandro Sergi, Raymond Kapral
A quantum-classical limit of the canonical equilibrium time correlation function for a quantum system is derived. The quantum-classical limit for the dynamics is obtained for quant…
Deceleration and electrostatic trapping of OH radicals
Sebastiaan Y. T. van de Meerakker, Paul H. M. Smeets, Nicolas Vanhaecke +2
A pulsed beam of ground state OH radicals is slowed down using a Stark decelerator and is subsequently loaded into an electrostatic trap. Characterization of the molecular beam pro…
The role of the spin in quasiparticle interference
J. I. Pascual, G. Bihlmayer, Yu. M. Koroteev +8
Quasiparticle interference patterns measured by scanning tunneling microscopy (STM) can be used to study the local electronic structure of metal surfaces and high temperature super…
Ab initio atomistic thermodynamics and statistical mechanics of surface properties and functions
Karsten Reuter, Catherine Stampfl, Matthias Scheffler
Previous and present "academic" research aiming at atomic scale understanding is mainly concerned with the study of individual molecular processes possibly underlying materials sci…
Controlling spatiotemporal chaos in oscillatory reaction-diffusion systems by time-delay autosynchronization
C. Beta, A. S. Mikhailov
Diffusion-induced turbulence in spatially extended oscillatory media near a supercritical Hopf bifurcation can be controlled by applying global time-delay autosynchronization. We c…
Dynamical systems with time-dependent coupling: Clustering and critical behaviour
Damian H. Zanette, Alexander S. Mikhailov
We study the collective behaviour of an ensemble of coupled motile elements whose interactions depend on time and are alternatively attractive or repulsive. The evolution of intera…
Entrainment of randomly coupled oscillator networks by a pacemaker
Hiroshi Kori, Alexander S. Mikhailov
Entrainment by a pacemaker, representing an element with a higher frequency, is numerically investigated for several classes of random networks which consist of identical phase osc…