2022 - Publications
On a Hybrid Continuum-Kinetic Model for Complex Fluids
A. Chertock, P. Degond, G. Dimarco, and Lukacova-Medvidova
Partial Di er. Equ. Appl. 3, 2022, Paper No. 63, 28 pp.
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Convergence and Error Estimates for Compressible Fluid Flows with Random Data: Monte Carlo Method
Feireisl, E., Lukacova-Medvidova, M., She, B., Yuan, Y.
Math. Mod. Meth. Appl. Sci. 32 (14), 2022, 2887-2925
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Regularity and Weak-Strong Uniqueness for Three-Dimensional Peterlin Viscoelastic Model
Brunk, A., Lu, Y., and Lukacova-Medvidova, M.
Commun. Math. Sci. 20, 2022, 201-230
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Understanding and Modeling Polymers: The Challenge of Multiple Scales
F. Schmid
ACS Polymers Au (2022)
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Water Uptake by Gecko beta-Keratin and the Influence of the Relative Humidity on its Mechanical and Volumetric Properties
M. Khani, T. Materzok, H. Eslami, S. Gorb, and F. Müller-Plathe
J. R. Soc. Interface 19, 20220372 (2022)
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How Ethanolic Disinfectants Disintegrate Coronavirus Model Membranes: A Dissipative-Particle-Dynamics Simulation Study
T. Zhou, Z. Wu, S. Das, H. Eslami, and F. Müller-Plathe
J. Chem. Theor. Comput. 18, 2597–2615 (2022)
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Self-Assembly of Model Triblock Janus Colloidal Particles in Two Dimensions
K. Bahri, H. Eslami, and Florian Müller-Plathe
J. Chem. Theor. Comput. 18, 1870–1882 (2022)
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Mobility of polymer melts in a regular array of carbon nanotubes
S.A.N. Alberti, J. Schneider, and F. Müller-Plathe
J. Chem. Theor. Comput. 18, 3285–3295 (2022)
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Boron-Modified Perhydropolysilazane Towards Facile and Economical Synthesis of Amorphous SiBN Ceramic with Excellent Thermal Stability
Y. Zhan, W. Li, T. Jiang, C. Fasel, E. Ricohermoso III, J. Bernauer, Z. Yu, Z. Wu, F. Müller-Plathe, L. Molina-Luna, R. Grottenmüller, and R. Riedel
J. Adv. Ceram. 11, 1104–1116 (2022)
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Slip-Spring Hybrid Particle-Field Model for Coarse-Graining Branched Polymer Melts: Polystyrene Melts as an Example
Z. Wu and F. Müller-Plathe
J. Chem. Theor. Comput. 18, 3814–3828 (2022)
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Roughness volumes: An improved RoughMob concept for predicting the increase of molecular mobility upon coarse-graining
M.K. Meinel and F. Müller-Plathe
J. Phys. Chem. B 126, 3737−3747 (2022)
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Passive probe particle in an active bath: can we tell it is out of equilibrium?
Jeanine Shea, Gerhard Jung, Friederike Schmid
Soft Matter, 2022,18, 6965-6973, (2022)
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Force Generation in Confined Active Fluids: The Role of Microstructure
Paul, Shuvojit and Jayaram, Ashreya and Narinder, N and Speck, Thomas and Bechinger, Clemens
Physical Review Letters 129, 058001, (2022)
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Improving the Efficiency of Variationally Enhanced Sampling with Wavelet-Based Bias Potentials
Benjamin Pampel and Omar Valsson
Journal of Chemical Theory and Computation 2022, 18, 7, 4127–4141
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Penalization method for the Navier-Stokes-Fourier system
Danica Basarić, Eduard Feireisl, Mária Lukáčová-Medviďová, Hana Mizerová, Yuhuan Yuan
ESAIM: Mathematical Modelling and Numerical Analysis, (2022)
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Existence of Dissipative Solutions to the Compressible Navier-Stokes System with Potential Temperature Transport
M. Lukacova-Medvidova, A. Schömer
Journal of Mathematical Fluid Mechanics 24(82), (2022)
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Global existence of weak solutions to viscoelastic phase separation: Part I Regular Case
Aaron Brunk, Maria Lukacova-Medvidova
Nonlinearity 35, 3417-3458, (2022)
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Global existence of weak solutions to viscoelastic phase separation: Part II Degenerate Case
A. Brunk, M. Lukacova-Medvidova
Nonlinearity 35, 3459-3486, (2022)
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A variational framework for the inverse Henderson problem of statistical mechanics
Fabio Frommer and Martin Hanke
Letters in Mathematical Physics 112, 71, (2022)
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Employing Artificial Neural Networks to Identify Reaction Coordinates and Pathways for Self-Assembly
Jörn H. Appeldorn, Simon Lemcke, Thomas Speck, Arash Nikoubashman
The Journal of Physical Chemistry B 126 (27), 5007-5016, (2022)
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Wavefunction-Based Electrostatic-Embedding QM/MM Using CFOUR through MiMiC
Till Kirsch, Jógvan Magnus Haugaard Olsen, Viacheslav Bolnykh, Simone Meloni, Emiliano Ippoliti, Ursula Rothlisberger, Michele Cascella, Jürgen Gauss
Journal of Chemical Theory and Computation 18 (1),13-24 (2022)
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Where Lennard-Jones Potentials Fail: Iterative Optimization of Ion–Water Pair Potentials Based on Ab Initio Molecular Dynamics Data
Marvin P.Bernhardt, Yuki Nagata, Nico F.A. van der Vegt
The Journal of Physical Chemistry Letters. 2022, 13, 16, 3712–3717
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Cross-correlation corrected friction in (generalized) Langevin models:Application to the continuous Asakura–Oosawa model
Viktor Klippenstein, Nico F. A. van der Vegt
Journal of Chemical Physics 157, 044103 (2022)
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Wavefunction-Based Electrostatic-Embedding QM/MM Using CFOUR through MiMiC
Till Kirsch, Jógvan Magnus Haugaard Olsen, Viacheslav Bolnykh, Simone Meloni, Emiliano Ippoliti, Ursula Rothlisberger, Michele Cascella, Jürgen Gauss
Journal of Chemical Theory and Computation 18 (1), 13-24 (2022)
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