How to Cite¶
When using STACIE in your research, please cite the STACIE paper in any resulting publication. The reference is provided in several formats below.
Main STACIE Paper¶
This paper introduces STACIE and should be cited in any publication that relies on STACIE:
Gözdenur Toraman, Dieter Fauconnier, and Toon Verstraelen “STable AutoCorrelation Integral Estimator: Robust and Accurate Transport Properties from Molecular Dynamics Simulations” Journal of Chemical Information and Modeling 2025, 65 (19), 10445–10464, https://doi.org/10.1021/acs.jcim.5c01475, https://arxiv.org/abs/2506.20438.
BibTeX:
@article{Toraman2025, author = {G\"{o}zdenur Toraman and Dieter Fauconnier and Toon Verstraelen}, title = {STable AutoCorrelation Integral Estimator: Robust and Accurate Transport Properties from Molecular Dynamics Simulations}, journal = {Journal of Chemical Information and Modeling}, volume = {65}, number = {19}, pages = {10445--10464}, year = {2025}, month = {sep}, url = {https://doi.org/10.1021/acs.jcim.5c01475}, doi = {10.1021/acs.jcim.5c01475}, }
RIS (ProCite, Reference Manager)
TY - JOUR T1 - STable AutoCorrelation Integral Estimator: Robust and Accurate Transport Properties from Molecular Dynamics Simulations AU - Toraman, Gözdenur AU - Fauconnier, Dieter AU - Verstraelen, Toon Y1 - 2025/10/13 PY - 2025 DA - 2025/10/13 DO - 10.1021/acs.jcim.5c01475 T2 - Journal of Chemical Information and Modeling JF - Journal of Chemical Information and Modeling JO - J. Chem. Inf. Model. SP - 10445 EP - 10464 VL - 65 IS - 19 UR - https://doi.org/10.1021/acs.jcim.5c01475 ER -
Lorentz Model & Shear Viscosity¶
When using the Lorentz model or performing shear viscosity calculations with STACIE, please also cite the following paper:
Gözdenur Toraman, Dieter Fauconnier, and Toon Verstraelen “Reliable Viscosity Calculation from High-Pressure Equilibrium Molecular Dynamics: Case Study of 2,2,4-Trimethylhexane” Journal of Chemical Theory and Computation 2026, 22 (15), 7496–7511, https://doi.org/10.1021/acs.jctc.6c00506, https://arxiv.org/abs/2603.11247.
BibTeX:
@article{Toraman2026, author = {G\"{o}zdenur Toraman and Dieter Fauconnier and Toon Verstraelen}, title = {Reliable Viscosity Calculation from High-Pressure Equilibrium Molecular Dynamics: Case Study of 2,2,4-Trimethylhexane}, journal = {Journal of Chemical Theory and Computation}, volume = {22}, number = {15}, pages = {7496--7511}, year = {2026}, month = {jul}, url = {https://doi.org/10.1021/acs.jctc.6c00506}, doi = {10.1021/acs.jctc.6c00506}, }
RIS (ProCite, Reference Manager)
TY - JOUR TI - Reliable Viscosity Calculation from High-Pressure Equilibrium Molecular Dynamics: Case Study of 2,2,4-Trimethylhexane AU - Toraman, Gözdenur AU - Fauconnier, Dieter AU - Verstraelen, Toon Y1 - 2026/07/24 PY - 2026 DA - 2026/07/24 DO - 10.1021/acs.jctc.6c00506 T2 - Journal of Chemical Theory and Computation JF - Journal of Chemical Theory and Computation JO - J. Chem. Theory Comput. SP - 7496 EP - 7511 VL - 22 IS - 15 UR - https://doi.org/10.1021/acs.jctc.6c00506 ER -