2026 - Publications
Maximal dissipation and well-posedness of the Euler system of gas dynamics
E. Feireisl, A. Jüngel, M. Lukáčová-Medvid'ová
Archive for rational mechanics and analysis 250, 53 (2026)
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On the fluctuations of the extremal and cluster level sets of branching Brownian motion
Lisa Hartung, Oren Louidor, Tianqi Wu
Probability theory and related fields, early access (2026)
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Pressure-induced pKa variations influence conformations of pH-sensitive polymers
Ved Jahajan, Varun Mandalaparthy, Nico F.A. van der Vegt
J. Chem. Phys. 164, 084907 (2026)
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Self-Assembly of Unconventional Triphenylene-Based Frustrated Amphiphile in Solution
H.M. Cezar, G. Berton, T. Lorenzetto, S. Zorzi, C.J.D. Foumthuim, S.M. Szostak, P. Ballester, C. Mondelli, R. Schweins, V. Cristiglio, F. Fabris, R. Lund, A. Scarso, A. Giacometti, M. Cascella
Langmuir 42, 4507-4517 (2026)
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Plasticization as a tool for tuning the dynamics of polymerized ionic liquids: insights from molecular dynamics simulations
Arshid Ahmad, Michael Vogel
Soft Matter 22, 3750-3758 (2026)
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Dynamical scaling of coarse-grained ionic liquid under shear flow
Abbas Gholami, Michael Vogel, Torsten Stuehn, Joseph F. Rudzinski
J. Chem. Phys. 164, 184503 (2026)
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A Novel Implementation of CCSD Analytic Gradients Using Cholesky Decomposition of the Two-Electron Integrals and Abelian Point-Group Symmetry
Luca Melega, Tommaso Nottoli, Jürgen Gauss, Filippo Lipparini
J. Phys. Chem. A 130, 2097-2111 (2026)
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Thermoresponsivity and cononsolvency of a minimal polymer model in mixed solvents
Ved Mahajan, Nico F.A. van der Vegt
J. Chem. Phys. 164, 124901 (2026)
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Molecular Mechanisms behind Nonmonotonic Surface Tensions of Binary Aqueous n-Diol Mixtures
Evangelia Charvati, Pim J. Dekker, Christian Diddens, Detlef Lohse, Florian Müller-Plathe
J. Phys. Chem. B 130, 2585-2596 (2026)
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A simple, fully-discrete, unconditionally energy-stable method for the two-phase Navier-Stokes Cahn-Hilliard model with arbitrary density ratios
A. Brunk, M.F.P. ten Eikelder
J. Comp. Phys. 548, 114558 (2026)
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Nanofriction of Adsorbed Polymer Chains on Rough Surfaces: A Generalized Friction Model
Daniel A. Vega, Friederike Schmid, Andrey Milchev
Macromolecules 59, 7890-7899 (2026)
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Mechanistic Insight Into Ionizable Cationic Lipid-Mediated Endosomal Escape via Transient Lipid Complexes
David Noel Zimmer, Friederike Schmid, Giovanni Settanni
Small 22, 32 (2026)
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Beyond Electrostatic Screening: Effect of Ion Pairing on Acid-Base Equilibria in Complex Electrolyte Solutions
Varun Mandalaparthy, Johannes Hunger, Mischa Bonn, Nico F.A. van der Vegt
J. Phys. Chem. Lett. 17, 511-518 (2026)
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Stress Relaxation in Monodisperse Entangled Polymer Melts: Correlation between Viscoelastic Response and Single-Chain Relaxation via Molecular Dynamics Simulations
Alireza F. Behbahani
Macromolecules 59, 3455-3464 (2026)
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Role of a trap in disordered OLED host-guest systems
A. Stankevych, N. Kinaret, A. Zhugayevych, R. Saxena, A. Vakhnin, K.-H. Lin, D. Andrienko, H. Bassler, A. Köhler, A. Kadashchuk
Phys. Rev. Appl. 25, 044005 (2026)
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Bottom-up synthesis of molecular nanodiamond from nanographene
I. Batatia, J. Liu, X. Yang, R.G. Brouwer, L. Kazak, R. Blinder, L. Cancellara, N.V. Tarakina, Y. Liu, T. Eklund, M. Sinha, S. Koster, S. Bhat, F. Rohmann, A. Tangemann, K.L. Gallo, R. Berger, R. Farla, A. Kubanek, K. Amann-Winkel, M. Wagner, F. Jelezko, K. Müllen, G. Csanyi, R. Cortes-Huerto, Y. Wu, T. Weil
Nature 655, 8121 (2026)
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Mutual linearity is a generic property of steady-state Markov networks
Robin Bebon, Thomas Speck
Phys. Rev. Lett. 136, 137401 (2026)
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Direct nonequilibrium molecular dynamics simulation of diffusio-osmotic flow in nanopores
Hossein Eslami, Xinxin Deng
J. Coll. Interf. Sci. 724, 141119 (2026)
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Structure-preserving approximation of the non-isothermal Cahn-Hilliard system based on the entropy equation
Brunk, A., Höhn, D., Lukáčová-Medvid'ová, M.
Applied Mathematics and Computation, 522, 129987 (2026)
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A general model for frictional contacts in colloidal systems
Kay Hofmann, Kay-Robert Dormann, Benno Liebchen, Friederike Schmid
Commun. Phys. 9, 139 (2026)
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Convergence of a hyperbolic thermodynamically compatible finite volume scheme for the Euler equations
Michael Dumbser, Maria Lukáčová-Medvid'ová, Andrea Thomann
Numerische Mathematik 158, 715-747 (2026)
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Memory effects in contact line friction
Niklas Wolf, Nico F.A. van der Vegt
J. Chem. Phys. 164, 141101 (2026)
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Hybrid multiscale method for polymer melts: Analysis and simulations
Ranajay Datta, Maria Lukáčová-Medvid'ová, Andreas Schömer, Peter Virnau
ZAMM 106, e70438 (2026)
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A random walk approach to broadcasting on random recursive trees
Ernst Althaus, Lisa Hartung, Rebecca Steiner
J. Theor. Probability 39, 65 (2026)
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Solving random hyperbolic conservation laws using linear programming
Shaoshuai Chi, Michael Herty, Maria Lukáčová-Medvid'ová, Yizhou Zhou
SIAM J. Sci. Comp. 48, A1184-A1205 (2026)
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Analysis of nonlinear poroviscoelastic flows with discontinuous porosities (vol. 36, 7025, 2023)
Markus Bachmayr, Simon Boissereee, Lisa M. Kreusser
Nonlinearity 39, 049501 (2026)
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Reconstruction of spin structures from topological charge distributions via generative neural network systems
Kyra H.M. Klos, Jan Disselhoff, Michael Wand, Karin Everschor-Sitte, Friederike Schmid
J. Chem. Phys. 164, 194113 (2026)
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Coarse-graining of small molecules in inhomogeneous systems through local-density dependent potentials
Sayan Dutta, Denis Andrienko, Arash Nikoubashman
J. Chem. Phys. 164, 134115 (2026)
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Tuning the velocity of thermophoretic microswimmers with thermo-sensitive polymer
F. Braun, A.K. Mukhopadhyay, S. Mahmoudi, K. Graff, A. Razavi, C. Schneider, S. Lessnau, B. Liebchen, R. von Klitzing
Soft matter 22, 747-762 (2026)
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Ring polymer physics and rehology: Challenges and opportunities
C.M. Schroeder, R. Everaers, K. Kremer, M. Kruteva, C.N. Likos, G.B. McKenna, T. O'Connor, J.R. Prakash, D. Richter, R. Robertson-Anderson, M. Rubinstein, K.S. Schweizer, D. Vlassopoulos
J. Rheology 70, 183-216 (2026)
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Organic materials of tomorrow: Horizons of artificial intelligence
Harold Mena, Terence J. Balskovits, Kun-Han Lin, Denis Andrienko
Advanced Materials, Early access (2026)
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Modelling dissipation in quantum active matter
A.P. Antonov, S. Lee, B. Liebchen, H. Löwen, J. Melles, G. Morigi, Y. Tuchkov, M. te Vrugt
Phys. Rev. A 114, 012201 (2026)
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From heteropolymer stiffness distributions to effective homopolymers. I. Theoretical modeling and computational verification
Yannick Witzky, Friederike Schmid, Arash Nikoubashman
J. Chem. Phys. 163, 164907 (2026)
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From heteropolymer stiffness distributions to effective homopolymers. II. Conformational analysis of intrinsically disordered proteins
Yannick Witzky, Friederike Schmid, Arash Nikoubashman
J. Chem. Phys. 163, 164908 (2026)
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Accurate coarse-graining of conjugated organic molecules in melts and thin films using density-dependent potentials
Sayan Dutta, Maria C. Lesniewski, Muhammad Nawaz, Will G. Noid, Denis Andrienko, Arash Nikoubashman
J. Chem. Theory Comp. 22, 3697-3708 (2026)
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Real-Time Modeling of Skyrmion Dynamics in Arbitrary 2D Spatially Dependent Pinning Potential Landscapes
S.F. Fröhlich, T. Sparmann, M.A. Brems, J. Rothörl, F. Kammerbauer, K. Raab, K. Sachin, M. Kläui, P. Virnau
Comm. Phys. 9, 243 (2026)
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Impact of currents on non-equilibrium coexistence in chemically driven mixtures
Ellen Meyberg, Joshua F. Robinson, Thomas Speck
J. Chem. Phys. 165, 044118 (2026)
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Chemical potentials of hydrogen-bonded aqueous mixtures from adaptive resolution simulations and Kirkwood-Buff theory
Maria Duena-Herrera, Mauricio Sevilla, Diego Veloza-Diaz, Luis A. Baptista, Nancy C. Forero-Martinez, Robinson Cortes-Huerto
J. Chem. Phys. 164, 164502 (2026)
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Consistency and convergence of flux-corrected finite element methods for nonlinear hyperbolic problems
Kuzmin, D., Lukáčová-Medvid'ová, M., Öffner, P.
J. Num. Math. 34, 1-20 (2026)
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