Research Explorer

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Researcher

Gözdenur Toraman

Publications & Research Data

Awards & Distinctions

14 Results

2026

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

Robbe BohyGözdenur ToramanDieter FauconnierToon Verstraelen

2025

Example Trajectory Data and Jupyter Notebooks Showing How to Compute Various Properties with STACIE

Gözdenur ToramanToon 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

Sodium Chloride Electrolyte Equilibrium Molecular Dynamics Simulations

Gözdenur ToramanToon Verstraelen

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 AutoCorrelation Integral Drill (ACID) Test Set

Gözdenur ToramanDieter FauconnierToon Verstraelen

2023

EMD data for the paper "Impact of ad-hoc post-processing parameters on the lubricant viscosity calculated with 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

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

Gözdenur ToramanToon VerstraelenDieter Fauconnier

2022

Multi scale modelling of Thermo-Elastohydrodynamic Lubrication (TEHL) in bearings and gears

Peyman HavaejGözdenur ToramanMohammadreza BanakermaniDieter Fauconnier

Multi-scale modelling of oil lubricated contacts in machine elements

Peyman HavaejGözdenur ToramanJoris DegrooteDieter Fauconnier

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

2021

Molecular Dynamics simulations for constitutive modelling of TEHL

Gözdenur ToramanDieter FauconnierToon Verstraelen