J. Gebhardt, C. Kleist, S. Jakobtorweihen, and N. Hansen. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry, 122 (5):
1608-1626(2018)
L. Smith, W. van Gunsteren, and N. Hansen. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry, 121 (29):
7055-7063(2017)
D. Markthaler, J. Zeman, J. Baz, J. Smiatek, and N. Hansen. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 121 (47):
10674-10688(2017)
A. Hemmen, and J. Groß. The Journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry, 119 (35):
11695-11707(2015)
I. Kreitmeir, S. Rapp, J. Groß, and E. Kröber. Ausgewählte Ergebnisse zur Qualitätsoptimierung der Lehre an der Universität Stuttgart, Universität Stuttgart, Stuttgart, (2015)
J. Smiatek, N. Hansen, and J. Kästner. Simulating enzyme reactivity : Computational methods in enzyme catalysis, 9, The Royal Society of Chemistry, Cambridge, (2017)
P. Neumann, R. Stierle, J. Groß, and et. al. dtec.bw-Beiträge der Helmut-Schmidt-Universität / Universität der Bundeswehr Hamburg: Forschungsaktivitäten im Zentrum für Digitalisierungs- und Technologieforschung der Bundeswehr dtec.bw, 1, Helmut-Schmidt-Universität, Hamburg, (2022)
M. Lampe, M. Stavrou, J. Schilling, E. Sauer, J. Groß, and A. Bardow. Special Issue: Selected papers from the 8th International Symposium on the Foundations of Computer-Aided Process Design (FOCAPD 2014) : July 13-17, 2014, Cle Elum, Washington, USA, 81, page 278-287. Amsterdam, Elsevier, (2015)
M. Lampe, P. Edel, J. Schilling, J. Groß, and A. Bardow. ASME-ORC2015 - Proceedings of the 3rd International Seminar on ORC Power Systems, page 76; 1-9. Liège, University of Liège, (2015)
M. Lampe, J. Groß, P. Colonna, and A. Bardow. 12th International Symposium on Process Systems Engineering and 25th European Symposium on Computer Aided Process Engineering, 37, Amsterdam, Elsevier, (2015)
O. Lötgering-Lin, M. Fischer, M. Hopp, and J. Groß. Advanced Materials for Engineering Applications, 57, 11, page 4095-4114. Washington, DC, American Chemical Society, (2018)
J. Schilling, M. Lampe, J. Groß, and A. Bardow. ASME-ORC2015 - Proceedings of the 3rd International Seminar on ORC Power Systems, page 75; 1-10. Liège, University of Liège, (2015)
J. Eller, T. Matzerath, T. Westen, and J. Groß. Dataset, (2021)Related to: Eller, J., Matzerath, T., van Westen, T., & Gross, J. (2021). Predicting solvation free energies in non-polar solvents using classical density functional theory based on the PC-SAFT equation of state. The Journal of chemical physics, 154(24), 244106. doi: 10.1063/5.0051201.
H. Kraus, and J. Rybka. Dataset, (2019)Related to: Ziegler, Felix; Teske, Johannes; Elser, Iris; Dyballa, Michael; Frey, Wolfgang; Kraus, Hamzeh; Hansen, Niels; Rybka, Julia; Tallarek, Ulrich; Buchmeiser, Michael R (2019): Olefin Metathesis in Confined Geometries: A Biomimetic Approach toward Selective Macrocyclization. In: Journal of the American Chemical Society. doi: 10.1021/jacs.9b08776.
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.
D. Markthaler, H. Kraus, and N. Hansen. Dataset, (2022)Related to: D. Markthaler, H. Kraus, N. Hansen, Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange. In: Journal of Computer-Aided Molecular Design (2022). doi: 10.1007/s10822-021-00439-w.
B. Bursik, J. Eller, and J. Groß. Dataset, (2024)Related to: B. Bursik, J. Eller, J. Gross: Predicting Solvation Free Energies from the Minnesota Solvation Database Using Classical Density Functional Theory Based on the PC-SAFT Equation of State. Journal of Physical Chemistry B, (2024). Accepted manuscript.
H. Kraus, M. Högler, and N. Hansen. Software, (2023)Related to: Kraus, Hamzeh; Högler, Marc; Hansen, Niels (2023): Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models. In: Journal of Physical Chemistry C, 127, 14374-14388. doi: 10.1021/acs.jpcc.3c01974.
M. 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.
E. Sauer, and J. Groß. Dataset, (2021)Related to: Sauer, Elmar; Gross, Joachim (2019): Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory. In Langmuir. doi: 10.1021/acs.langmuir.9b02378.
N. Zimmermann, G. Guevara-Carrion, J. Vrabec, and N. Hansen. Software, (2022)Related to: N. E. R. Zimmermann, G. Guevara-Carrion, J. Vrabec, N. Hansen, Predicting and Rationalizing the Soret Coefficient of Binary Lennard-Jones Mixtures in the Liquid State, Advanced Theory and Simulations, 2022. doi: 10.1002/adts.202200311.
C. Keßler, R. Schuldt, S. Emmerling, B. Lotsch, J. Kästner, J. Groß, and N. Hansen. Dataset, (2022)Related to: Kessler, Christopher; Schuldt, Robin, Emmerling, Sebastian; Lotsch, Bettina, Kästner, Johannes; Gross, Joachim, Hansen, Niels: Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study. Microporous and Mesoporous Materials 336 (2022), 111796. doi: 10.1016/j.micromeso.2022.111796.
T. Kobayashi, H. Kraus, N. Hansen, and M. Fyta. Dataset, (2021)Related to: Takeshi Kobayashi, Hamzeh Kraus, Niels Hansen and Maria Fyta, Confined Ru-catalysts in a Two-phase Heptane/Ionic Liquid Solution: Modeling Aspects, ChemCatChem 2021, 13, 739-746. doi: 10.1002/cctc.202001596.
H. Kraus, J. Rybka, and N. Hansen. Dataset, (2022)Related to: Kraus H., Rybka J., Tallarek U., Hansen N. (2021) Computational Study of Confinement Effects in Molecular Heterogeneous Catalysis. In: Nagel W.E., Kröner D.H., Resch M.M. (eds) High Performance Computing in Science and Engineering '20. Springer, Cham. doi: 10.1007/978-3-030-80602-6_7.
T. Braun. Dataset, (2019)Related to: Braun, Thorsten: Rekonstruktion von Prüfungserfolgsbedingungen in der Technischen Thermodynamik mittels methodenintegrativem Design : Eine hochschuldidaktische Begleitforschung. Dissertation. University of Stuttgart, 2020 (expected year of publication).