Gözdenur Toraman
- ORCID iD
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0000-0001-6785-333X
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- Conference Paper
- C3
- open access
Transport properties, correlation times, and uncertainties in molecular dynamics simulations with the STable AutoCorrelation Integral Estimator applied to squalane
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- Conference Paper
- C3
- open access
Robust derivation of uncertainties, correlation times, and transport properties from molecular dynamics simulations : a force field validation study on squalane
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Sodium Chloride Electrolyte Equilibrium Molecular Dynamics Simulations
(2025) -
Example Trajectory Data and Jupyter Notebooks Showing How to Compute Various Properties with STACIE
(2025) -
The AutoCorrelation Integral Drill (ACID) Test Set
(2025) -
- Journal Article
- A1
- open access
STable AutoCorrelation Integral Estimator : robust and accurate transport properties from molecular dynamics simulations
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The influence of heuristic and ad-hoc choices on the determination of lubricant viscosities from equilibrium molecular dynamics simulations
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EMD data for the paper "Impact of ad-hoc post-processing parameters on the lubricant viscosity calculated with equilibrium molecular dynamics simulations"
(2023) -
- Journal Article
- A1
- open access
Impact of ad hoc post-processing parameters on the lubricant viscosity calculated with equilibrium molecular dynamics simulations
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Multi scale modelling of Thermo-Elastohydrodynamic Lubrication (TEHL) in bearings and gears