W
Walter Kob
Researcher at University of Montpellier
Publications - 302
Citations - 17035
Walter Kob is an academic researcher from University of Montpellier. The author has contributed to research in topics: Glass transition & Relaxation (physics). The author has an hindex of 64, co-authored 293 publications receiving 15308 citations. Previous affiliations of Walter Kob include University of Mainz & Institut Universitaire de France.
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Classical and ab-initio molecular dynamic simulation of an amorphous silica surface
TL;DR: In this paper, the results of a classical molecular dynamic simulation as well as of an ab-initio molecular dynamic simulations of an amorphous silica surface are presented. But the results are limited to the length scale beyond ≈5 A, and it is necessary to use an ab initio method to reliably predict the structure at small scales.
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Dynamic and thermodynamic crossover scenarios in the Kob-Andersen mixture: Insights from multi-CPU and multi-GPU simulations.
TL;DR: This work simulates the Kob-Andersen Lennard-Jones mixture using efficient protocols based on multi-CPU and multi-GPU parallel tempering to probe the thermodynamics and dynamics of the liquid at equilibrium well below the critical temperature of the mode-coupling theory.
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Test of mode coupling theory for a supercooled liquid of diatomic molecules. II. q -dependent orientational correlators
TL;DR: In this article, the authors study the dynamics of a molecular liquid by means of a general class of time-dependent correlators, which explicitly involve translational (TDOF) and orientational degrees of freedom (ODOF).
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Test of mode coupling theory for a supercooled liquid of diatomic molecules. i. translational degrees of freedom
TL;DR: In this paper, a molecular-dynamics simulation is performed for a supercooled liquid of rigid diatomic molecules and the time-dependent self and collective density correlators of the molecular centers of mass are determined and compared with the predictions of the ideal mode coupling theory for simple liquids.
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Structural relaxation of a gel modeled by three body interactions.
TL;DR: It is shown that motion responsible for such relaxation has ballistic character, and arises from the motion of chain segments in the gel without the restructuring of the gel network, including compressed exponential relaxation of density correlations.