Author of the publication

copy delete add this publication to your clipboard
community post
history of this post
URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
Harvard
MSOffice XML

Gaussian Process-Supported Optimization of the Transferable Anisotropic Mie Potential Force Field for Primary Alkylamines misc

M. Fleck, R. Katsuta, T. Esper, N. Hansen, and J. Gross. Industrial & Engineering Chemistry Research, 64 (11): 6170–6179 (March 2025)
DOI: 10.1021/acs.iecr.4c04170

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

Maximilian Fleck University of Stuttgart

Maximilian Fleck University of Stuttgart

Michael Fleck University of Stuttgart

Maximilian Overbeck

European debates during the Libya crisis of 2011: shared identity, divergent actionM. Overbeck. European Security, 23 (4): 583-600 (2014)

Maximilian Bauhofer University of Stuttgart

Other publications of authors with the same name

TAMie Force Field for Alkanethiols: Multifidelity Gaussian Processes for Dealing with Scarce Experimental DataM. Fleck, S. Darouich, N. Hansen, and J. Gross. The Journal of Physical Chemistry B, 128 (39): 9544–9552 (September 2024)Gaussian Process-Supported Optimization of the Transferable Anisotropic Mie Potential Force Field for Primary Alkylamines miscM. Fleck, R. Katsuta, T. Esper, N. Hansen, and J. Gross. Industrial & Engineering Chemistry Research, 64 (11): 6170–6179 (March 2025)Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction'M. Fleck, D. Markthaler, B. Stankiewicz, and N. Hansen. Dataset, (2022)Related to: Markthaler, Daniel; Fleck, Maximilian; Stankiewicz, Bartosz; Hansen, Niels: Exploring the Effect of Enhanced Sampling on Protein Stability Prediction. Journal of Chemical Theory and Computation (2022). doi: 10.1021/acs.jctc.1c01012.Efficient Generation of Torsional Energy Profiles by Multifidelity Gaussian Processes for Hindered Rotor CorrectionsM. Fleck, W. Kopp, N. Viswanathan, N. Hansen, J. Gross, and K. Leonhard. Journal of Chemical Theory and Computation, 20 (17): 7574–7585 (August 2024)Transferable Anisotropic Mie Potential Force Field for AlkanediolsM. Fleck, S. Darouich, N. Hansen, and J. Gross. The Journal of Physical Chemistry B, 128 (19): 4792–4801 (May 2024)Efficient Generation of Torsional Energy Profiles by Multifidelity Gaussian Processes for Hindered Rotor CorrectionsM. Fleck, W. Kopp, N. Viswanathan, N. Hansen, J. Groß, and K. Leonhard. Journal of chemical theory and computation, 20 (17): 7574-7585 (2024)Transferable Anisotropic Mie Potential Force Field for AlkanediolsM. Fleck, S. Darouich, N. Hansen, and J. Groß. 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 DataM. Fleck, S. Darouich, N. Hansen, and J. Groß. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry, 128 (39): 9544-9552 (2024)Physics-Informed Multifidelity Gaussian Process: Modeling the Effect of Water and Temperature on the Viscosity of a Deep Eutectic SolventM. Fleck, S. Darouich, J. Pleiss, N. Hansen, and M. Spera. J. Chem. Inf. Model., (April 2025)Replication Data for: Transferable Anisotropic Mie Potential Force Field for AlkanediolsM. Fleck, S. Darouich, N. Hansen, and J. Groß. 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.