Research Explorer

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Project

Molecular Dynamics Modelling of Lubricants at Ultra-High Pressures with Force Fields derived Ab Initio

Outputs and Outcomes

Publications

STable AutoCorrelation Integral Estimator : robust and accurate transport properties from molecular dynamics simulations

Gözdenur ToramanDieter FauconnierToon Verstraelen

A1 Journal Article in JOURNAL OF CHEMICAL INFORMATION AND MODELING

The influence of heuristic and ad-hoc choices on the determination of lubricant viscosities from equilibrium molecular dynamics simulations

Gözdenur ToramanToon VerstraelenDieter Fauconnier

Impact of ad hoc post-processing parameters on the lubricant viscosity calculated with equilibrium molecular dynamics simulations

Gözdenur ToramanToon VerstraelenDieter Fauconnier

A1 Journal Article in LUBRICANTS

Reliable calculation of lubricant properties from equilibrium molecular dynamics simulations

Gözdenur ToramanToon VerstraelenDieter Fauconnier

Reliable calculation of thermophysical lubricant properties from equilibrium molecular dynamics simulations

Gözdenur ToramanToon VerstraelenDieter Fauconnier

Molecular Dynamics simulations for constitutive modelling of TEHL

Gözdenur ToramanDieter FauconnierToon Verstraelen