Autor der Publikation

TAMie Force Field for Alkanethiols: Multifidelity Gaussian Processes for Dealing with Scarce Experimental Data

, , , und . The Journal of Physical Chemistry B, 128 (39): 9544–9552 (September 2024)
DOI: 10.1021/acs.jpcb.4c04456

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Samir Darouich University of Stuttgart

Generalized DeepONets for Viscosity Prediction Using Learned Entropy Scaling References, , , , und . Dataset, (2025)Related to: Fleck M, Klenk T, Darouich S, Spera MBM, Hansen N. A Generalized Deep Entropy Scaling Architecture Framework to Predict Viscosities. ChemRxiv. 2025; doi: This content is a preprint and has not been peer-reviewed. doi: 10.26434/chemrxiv-2025-jrjj9.
 

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Generalized DeepONets for Viscosity Prediction Using Learned Entropy Scaling References, , , , und . Dataset, (2025)Related to: Fleck M, Klenk T, Darouich S, Spera MBM, Hansen N. A Generalized Deep Entropy Scaling Architecture Framework to Predict Viscosities. ChemRxiv. 2025; doi: This content is a preprint and has not been peer-reviewed. doi: 10.26434/chemrxiv-2025-jrjj9.TAMie Force Field for Alkanethiols: Multifidelity Gaussian Processes for Dealing with Scarce Experimental Data, , , und . The Journal of Physical Chemistry B, 128 (39): 9544–9552 (September 2024)Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations, , , und . Fluid Phase Equilibria, (Mai 2025)Transferable Anisotropic Mie Potential Force Field for Alkanediols, , , und . The Journal of Physical Chemistry B, 128 (19): 4792–4801 (Mai 2024)Transferable Anisotropic Mie Potential Force Field for Alkanediols, , , und . The journal of physical chemistry. B, Biophysics, biomaterials, liquids, and soft matter, 128 (19): 4792-4801 (2024)TAMie Force Field for Alkanethiols : Multifidelity Gaussian Processes for Dealing with Scarce Experimental Data, , , und . The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry, 128 (39): 9544-9552 (2024)Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations", , , und . Dataset, (2025)Related to: Spera, Marcelle B. M.; Darouich, Samir; Pleiss, Jürgen; Hansen, Niels (2025): Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations. In: Fluid Phase Equilibria, 592, 114324. doi: 10.1016/j.fluid.2024.114324.Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols, , , und . Dataset, (2024)Related to: Fleck, Maximilian; Darouich, Samir; Hansen, Niels; Gross, Joachim (2024): Transferable Anisotropic Mie Potential Force Field for Alkanediols. In: The Journal of Physical Chemistry B, 128, 4792-4801. doi: 10.1021/acs.jpcb.4c00962.Physics-Informed Multifidelity Gaussian Process: Modeling the Effect of Water and Temperature on the Viscosity of a Deep Eutectic Solvent, , , , und . Journal of Chemical Information and Modeling, 65 (8): 3999–4009 (April 2025)