Joachim Groß (Joachim Gross)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 25

Top Topics

Density Functional Theory

Children With Cerebral Palsy

Molecular Dynamics

Top Venues

The journal of physical chemistry. B

The Journal of chemical physics

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Benjamin Bursik, Johannes Eller, Joachim Groß
Predicting Solvation Free Energies from the Minnesota Solvation Database Using Classical Density Functional Theory Based on the PC-SAFT Equation of State. The journal of physical chemistry. B 128 (15) (2024)
Lars Grunenberg, Christopher Keßler, Tiong Wei Teh, Robin Schuldt, Fabian Heck, Johannes Karwounopoulos, Joachim Groß, Niels Hansen, Bettina V Lotsch
Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment. ACS nano 18 (25) (2024)
Fabian Mayer, Philipp Rehner, Jan Seiler, Johannes Schilling, Joachim Groß, Andre Bardow
Adsorption Modeling Based on Classical Density Functional Theory and PC-SAFT: Temperature Extrapolation and Fluid Transfer. Industrial & engineering chemistry research 63 (32) (2024)
Lars Grunenberg, Christopher Keßler, Tiong Wei Teh, Robin Schuldt, Fabian Heck, Johannes Karwounopoulos, Joachim Groß, Niels Hansen, Bettina V Lotsch
Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment. ACS nano (2024)
Maximilian Fleck, Wassja A Kopp, Narasimhan Viswanathan, Niels Hansen, Joachim Groß, Kai Leonhard
Efficient Generation of Torsional Energy Profiles by Multifidelity Gaussian Processes for Hindered Rotor Corrections. Journal of chemical theory and computation (2024)
Carl Hemprich, Philipp Rehner, Timm Esper, Joachim Groß, Dennis Roskosch, Andre Bardow
Modeling Dipolar Molecules with PCP-SAFT: A Vector Group-Contribution Method. ACS omega 9 (37) (2024)
Fabian Mayer, Philipp Rehner, Jan Seiler, Johannes Schilling, Joachim Groß, Andre Bardow
Adsorption Modeling Based on Classical Density Functional Theory and PC-SAFT: Temperature Extrapolation and Fluid Transfer. Industrial & engineering chemistry research 63 (32) (2024)
Maximilian Fleck, Samir Darouich, Niels Hansen, Joachim Groß
Transferable Anisotropic Mie Potential Force Field for Alkanediols. The journal of physical chemistry. B 128 (19) (2024)
Lars Grunenberg, Christopher Keßler, Tiong Wei Teh, Robin Schuldt, Fabian Heck, Johannes Karwounopoulos, Joachim Groß, Niels Hansen, Bettina V Lotsch
Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment. ACS nano 18 (25) (2024)
Maximilian Fleck, Samir Darouich, Niels Hansen, Joachim Groß
TAMie Force Field for Alkanethiols: Multifidelity Gaussian Processes for Dealing with Scarce Experimental Data. The journal of physical chemistry. B (2024)
Maximilian Fleck, Samir Darouich, Niels Hansen, Joachim Groß
Transferable Anisotropic Mie Potential Force Field for Alkanediols. The journal of physical chemistry. B (2024)
Benjamin Bursik, Johannes Eller, Joachim Groß
Predicting Solvation Free Energies from the Minnesota Solvation Database Using Classical Density Functional Theory Based on the PC-SAFT Equation of State. The journal of physical chemistry. B (2024)
Lars Grunenberg, Christopher Keßler, Tiong Wei Teh, Robin Schuldt, Fabian Heck, Johannes Karwounopoulos, Joachim Groß, Niels Hansen, Bettina V Lotsch
Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment. ACS nano 18 (25) (2024)
Morten Hammer, Gernot Bauer, Rolf Stierle, Joachim Groß, Øivind Wilhelmsen
Classical density functional theory for interfacial properties of hydrogen, helium, deuterium, neon, and their mixtures. The Journal of chemical physics 158 (10) (2023)
Anja Reimer, Thijs van Westen, Joachim Groß
Physically based equation of state for Mie ν-6 fluids. The Journal of chemical physics 158 (16) (2023)
Johannes Eller, Joachim Groß
Free-Energy-Averaged Potentials for Adsorption in Heterogeneous Slit Pores Using PC-SAFT Classical Density Functional Theory. Langmuir : the ACS journal of surfaces and colloids 37 (12) (2021)
Elmar Sauer, Joachim Groß
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. Langmuir : the ACS journal of surfaces and colloids 35 (36) (2019)
Marc Theiss, Thijs van Westen, Joachim Groß
An equation of state for Stockmayer fluids based on a perturbation theory for dipolar hard spheres. The Journal of chemical physics 151 (10) (2019)
Christian Waibel, Joachim Groß
Polarizable Transferable Anisotropic United-Atom Force Field Based on the Mie Potential for Phase Equilibria: Ethers, n-Alkanes, and Nitrogen. Journal of chemical theory and computation 15 (4) (2019)
Gernot Bauer, Joachim Groß
Phase Equilibria of Solid and Fluid Phases from Molecular Dynamics Simulations with Equilibrium and Nonequilibrium Free Energy Methods. Journal of chemical theory and computation 15 (6) (2019)
Marc Theiss, Joachim Groß
A third and fourth order perturbation theory for dipolar hard spheres. The Journal of chemical physics 149 (4) (2018)
Christian Waibel, Joachim Groß
Modification of the Wolf Method and Evaluation for Molecular Simulation of Vapor-Liquid Equilibria. Journal of chemical theory and computation 14 (4) (2018)
Philipp Rehner, Joachim Groß
Surface tension of droplets and Tolman lengths of real substances and mixtures from density functional theory. The Journal of chemical physics 148 (16) (2018)
Christian Waibel, Mathias Simon Feinler, Joachim Groß
A Modified Shifted Force Approach to the Wolf Summation. Journal of chemical theory and computation 15 (1) (2018)
Elmar Sauer, Alexandros Terzis, Marc Theiss, Bernhard Weigand, Joachim Groß
Prediction of Contact Angles and Density Profiles of Sessile Droplets Using Classical Density Functional Theory Based on the PCP-SAFT Equation of State. Langmuir : the ACS journal of surfaces and colloids 34 (42) (2018)