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

2.4k citations

Showing 1999Show all

16 papers · 1 filter

cond-mat1999★ 23 cited

Distribution of repetitions of ancestors in genealogical trees

B. Derrida, S. C. Manrubia, D. H. Zanette

We calculate the probability distribution of repetitions of ancestors in a genealogical tree for simple neutral models of a closed population with sexual reproduction and non-overl…

cond-mat1999★ 22 cited

Very long transients in globally coupled maps

S. C. Manrubia, A. S. Mikhailov

Very long transients are found in the partially ordered phase of type II of globally coupled logistic maps. The transients always lead the system in this phase to a state with a fe…

cond-mat.mtrl-sci1999★ 72 cited

Stable and Metastable Structures of Cobalt on Cu(001): An ab initio Study

R. Pentcheva, M. Scheffler

We report results of density-functional theory calculations on the structural, magnetic, and electronic properties of (1x1)-structures of Co on Cu(001) for coverages up to two mono…

chao-dyn1999★ 25 cited

Finite Wavelength Instabilities in a Slow Mode Coupled Complex Ginzburg-Landau Equation

M. Ipsen, P. G. Soerensen

In this letter, we discuss the effect of slow real modes in reaction-diffusion systems close to a supercritical Hopf bifurcation. The spatio-temporal effects of the slow mode canno…

cond-mat.mtrl-sci1999★ 191 cited

Towards a first-principles theory of surface thermodynamics and kinetics

C. Stampfl, H. J. Kreuzer, S. H. Payne +2

Understanding of the complex behavior of particles at surfaces requires detailed knowledge of both macroscopic and microscopic processes that take place; also certain processes dep…

adap-org1999★ 128 cited

Noise-induced breakdown of coherent collective motion in swarms

A. S. Mikhailov, D. H. Zanette

We consider swarms formed by populations of self-propelled particles with attractive long-range interactions. These swarms represent multistable dynamical systems and can be found…

cond-mat.mtrl-sci1999★ 61 cited

Equilibrium shapes and energies of coherent strained InP islands

Q. K. K. Liu, N. Moll, M. Scheffler +1

The equilibrium shapes and energies of coherent strained InP islands grown on GaP have been investigated with a hybrid approach that has been previously applied to InAs islands on…

cond-mat.mtrl-sci1999★ 59 cited

Density-functional theory study of the catalytic oxidation of CO over transition metal surfaces

C. Stampfl, M. Scheffler

In recent years due to improvements in calculation methods and increased computer power, it has become possible to perform first-principles investigations for ``simple'' chemical r…

cond-mat.mtrl-sci1999★ 154 cited

Formation and stability of self-assembled coherent islands in highly mismatched heteroepitaxy

L. G. Wang, P. Kratzer, M. Scheffler +1

We study the energetics of island formation in Stranski-Krastanow growth within a parameter-free approach. It is shown that an optimum island size exists for a given coverage and i…

cond-mat.mtrl-sci1999★ 63 cited

Exchange and Correlation Kernels at the Resonance Frequency -- Implications for Excitation Energies in Density-Functional Theory

X. Gonze, M. Scheffler

Specific matrix elements of exchange and correlation kernels in time-dependent density-functional theory are computed. The knowledge of these matrix elements not only constraints a…

cond-mat1999★ 51 cited

Model for nucleation in GaAs homoepitaxy derived from first principles

P. Kratzer, C. G. Morgan, M. Scheffler

The initial steps of MBE growth of GaAs on beta 2-reconstructed GaAs(001) are investigated by performing total energy and electronic structure calculations using density functional…

cond-mat1999★ 118 cited

Mutual synchronization and clustering in randomly coupled chaotic dynamical networks

Susanna C. Manrubia, Alexander S. Mikhailov

We introduce and study systems of randomly coupled maps (RCM) where the relevant parameter is the degree of connectivity in the system. Global (almost-) synchronized states are fou…

physics.ed-ph1999★ 3 cited

Universality of the Hohenberg-Kohn functional

Arno Schindlmayr

We comment on a recent article by H. L. Neal [Am. J. Phys. 66, 512 (1998)], in which an analytic expression for the Hohenberg-Kohn functional was derived for one-dimensional two-pa…

cond-mat1999★ 431 cited

Improving the Efficiency of FP-LAPW Calculations

Max Petersen, Frank Wagner, Lars Hufnagel +3

The full-potential linearized augmented-plane wave (FP-LAPW) method is well known to enable most accurate calculations of the electronic structure and magnetic properties of crysta…

cond-mat1999★ 132 cited

Stochastic multiplicative processes with reset events

Susanna C. Manrubia, Damian H. Zanette

We study a stochastic multiplicative process with reset events. It is shown that the model develops a stationary power-law probability distribution for the relevant variable, whose…

cond-mat1999★ 50 cited

Statistical properties of genealogical trees

Bernard Derrida, Susanna C. Manrubia, Damian H. Zanette

We analyse the statistical properties of genealogical trees in a neutral model of a closed population with sexual reproduction and non-overlapping generations. By reconstructing th…