Research Explorer

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Project

Moleculaire Dynamica van smeermiddelen bij ultrahoge drukken met "Ab Initio" afgeleide krachtvelden

Outputs & impact

Publicaties & datasets ( 8 )

Transport properties, correlation times, and uncertainties in molecular dynamics simulations with the STable AutoCorrelation Integral Estimator applied to squalane

Robbe BohyGözdenur ToramanDieter FauconnierToon Verstraelen

Robust derivation of uncertainties, correlation times, and transport properties from molecular dynamics simulations : a force field validation study on squalane

Robbe BohyGözdenur ToramanDieter FauconnierToon Verstraelen

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

Gözdenur ToramanDieter FauconnierToon Verstraelen

A1 Artikel in een tijdschrift 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 Artikel in een tijdschrift 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

Activiteiten ( 0 )

Resultaten

Impactnarratieven ( 0 )

Octrooien ( 0 )