Group's Publication List

2025

Preprints

1. The concept of minimal dissipation and the identification of work in autonomous systems: A view from classical statistical physics
   A. Seegebrecht, T. Schilling
   arXiv:2503.00091

2024

Preprints

1. Dynamical signatures of non-Markovianity in a dissipative-driven qubit
   G. Amati
   arXiv:2401.09298
   
   
2. Polydispersity in Percolation
   F. Coupette, T. Schilling
   arXiv:2407.20193
    
   
3. Flow-induced anisotropy in a carbon black-filled silicone elastomer: electromechanical properties and structure
   B. Zimmer, B.-J. Niebuur, F. Schaefer, F. Coupette, V. Tänzel, T. Schilling, T. Kraus
   arXiv:2407.20318

Journal Articles

1. On the strength of underscreening.
   A. Härtel, R. Kjellander
   pages 293-295 in: A. P. Abbott et al., Faraday Discussions, 253, 289 (2024).
   doi: 10.1039/d4fd90035a
   arXiv:2412.01653 [cond-mat.stat-mech]
   
   
2. Evolution equations for open systems and collective variables. Which equation would you like to solve by molecular dynamics simulation?
   T. Schilling
   Journal of Chemical Physics, 161, 191501 (2024).
   doi: 10.1063/5.0239400
   
   
3. Structural Transition in the Single Layer Growth of Diindenoperylene on Silica
   P. Elsässer, T. Schilling
   Journal of Chemical Physics, 161, 094903 (2024).
   doi: 10.1063/5.0222049
   
   
4. The Effect of Particle Geometry and Initial Configuration on the Phase Behavior of Twisted Convex n-prisms
   P. Ghandi, A. Kuhnhold
   Soft Matter, 20, 5351 (2024).
   doi: 10.1039/D4SM00585F
   
   
5. Analysis of the Dynamics in Linear Chain Models by means of Generalized Langevin Equations
   F. Koch, S. Mandal, T. Schilling
   Journal of Statistical Physics, 191, 57 (2024).
   
   
6. Tracer dynamics in polymer networks: generalized Langevin description
   S. Milster, F. Koch, C. Widder, T. Schilling, J. Dzubiella
   The Journal of Chemical Physics, 160, 094901 (2024).
   
   
7. Work, Heat and Internal Energy in Open Quantum Systems: A Comparison of Four Approaches from the Autonomous System Framework
   A. Seegebrecht, T. Schilling
   Journal of Statistical Physics, 191, 34 (2024).
   
   
8. The non-equilibrium solvent response force: What happens if you push a Brownian particle
   F. Koch, J. Erle, T. Schilling
   Physical Review Research, 6, L012032 (2024).
   
   

2023

Preprints

1. Universal Approach to Critical Percolation
   F. Coupette, T. Schilling
   arXiv:2308.16757
   
   

Journal Articles

1. In-plane structure of the electric double layer in the primitive model using classical density functional theory
   P. Cats, A. Härtel
   Journal of Chemical Physics, 159, 184707 (2023).
   
   
2. Equation of State of Charged Rod Dispersions
   R. Tuinier, A. Kuhnhold
   Journal of Physical Chemistry B, 127, 9058 (2023).
   
   
3. Optimizing the Structure of Acene Clusters
   P. Elsässer, T. Schilling
   Journal of Chemical Physics, 158, 124303 (2023).
   
   
4. Anomalous Underscreening in the Restricted Primitive Model
   A. Härtel, M. Bültmann, F. Coupette
   Physical Review Letters, 130, 108202 (2023).
   
   

2022

Journal Articles

1. Generalized Langevin dynamics simulation with non-stationary memory kernels: How to make noise
   C. Widder, F. Glatzel, T. Schilling
   Journal of Chemical Physics, 157, 194107 (2022).
   
   
2. Hard sphere crystal nucleation rates: Reconciliation of simulation and experiment
   W. Wöhler, T. Schilling
   Physical Review Letters, 128, 238001 (2022).
   
   
3. Phase behavior of the generalized chiral Lebwohl-Lasher model in bulk and confinement
   P. Elsässer, A. Kuhnhold
   Physical Review E, 105, 054704 (2022).
   
   
4. Excluded volume interactions and phase stability in mixtures of hard spheres and hard rods
   J. Opdam, P. Gandhi, A. Kuhnhold, T. Schilling, R. Tuinier
   Physical Chemistry Chemical Physics, 24, 11820 (2022).
   
   
5. Coarse-grained modelling out of equilibrium
   T. Schilling
   Physics Reports, 972, 1 (2022).
   
   
6. The primitive model in classical density functional theory: beyond the standard mean-field approximation
   M. Bültmann, A. Härtel
   Journal of Physics: Condensed Matter, 34, 235101 (2022).
   
   
7. Extension of the primitive model by hydration shells and its impact on the reversible heat production during the buildup of the electric double layer
   P. Pelagejcev, F. Glatzel, A. Härtel
   Journal of Chemical Physics, 156, 034901 (2022).
   
   
8. Exactly solvable percolation problems
   F. Coupette, T. Schilling
   Physical Review E, 105, 044108 (2022).
   
   
9. Structure of nematic tactoids of hard rods
   A. Kuhnhold, P. van der Schoot
   Journal of Chemical Physics, 156, 104501 (2022).
   
   
10. Colloidal membranes of chiral rod-like particles
    A. Kuhnhold, N. Göth, N. Helmer
    Soft Matter, 18, 905 (2022).
    
    

2021

Other Publications

1. Universality in Self-Assembly Processes
   In response to “Complexity Far from Equilibrium”
   T. Schilling
   https://inference-review.com/letter/universality-in-self-assembly-processes
   
   
   

Journal Articles

1. The Interplay between Memory and Potentials of Mean Force: A Discussion on the Structure of Equations of Motion for Coarse Grained Observables
   F. Glatzel, T. Schilling
   Europhysics Letters 136, 36001 (2021).
   
   
2. Generating functions for message-passing on weighted networks: directed bond percolation and SIR epidemics
   C. Widder, T. Schilling
   Physical Review E 104, 054305 (2021).
   
   
3. Percolation of rigid fractal carbon black aggregates
   F. Coupette, L. Zhang, B. Kuttich, A. Chumakov, S. Roth, L. Gonzalez-Garcia, T. Kraus, T. Schilling
   The Journal of Chemical Physics 155, 124902 (2021).
   
   
4. Thin smectic liquid crystalline fibrils of chiral rodlike particles
   A. Kuhnhold, V. Tänzel
   Physical Review E 104, 024703 (2021).
   
   
5. Comments on the validity of the non-stationary Generalized Langevin Equation as a coarse-grained evolution equation for microscopic stochastic dynamics
   F. Glatzel, T. Schilling
   Journal of Chemical Physics 154, 174101 (2021).
   
   
6. Bayesian unsupervised learning reveals hidden structure in concentrated electrolytes
   P. Jones, F. Coupette, A. Härtel, A.A. Lee
   Journal of Chemical Physics 154, 134902 (2021).
   
   
7. Primitive Model Electrolytes in the Near and Far Field: Decay Lengths From DFT and Simulations
   P. Cats, R. Evans, A. Härtel, R. van Roij
   Journal of Chemical Physics 154, 124504 (2021).
   
   
8. Reversible heat production during electric double layer buildup depends sensitively on the electrolyte and its reservoir
   F. Glatzel, M. Janssen, A. Härtel
   Journal of Chemical Physics 154, 064901 (2021).
   
   
9. Nearest-neighbor connectedness theory: A general approach to continuum percolation
   F. Coupette, R. de Bruijn, P. Bult, S. Finner, M.A. Miller, P. van der Schoot, T. Schilling
   Physical Review E 103, 042115 (2021).
   
   
10. Evaluation of memory effects at phase transitions and during relaxation processes
    H. Meyer, F. Glatzel, W. Wöhler, T. Schilling
    Physical Review E 103, 022102 (2021).
    
    

2020

Journal Articles

1. A numerical procedure to evaluate memory effects in non-equilibrium coarse-grained models
   H. Meyer, S., G. Stock, T. Schilling
   Advanced Theory and Simulations, 2000197 (2020).
   
   
2. Computation of the solid-liquid interfacial free energy in hard spheres by means of thermodynamic integration
   M. Bültmann, T. Schilling
   Physical Review E 102, 042123 (2020).
   
   
3. Continuum percolation expressed in terms of density distributions
   F. Coupette, A. Härtel, T. Schilling
   Physical Review E 101, 062126 (2020).
   
   
4. Amyloid Evolution: Antiparallel Replaced by Parallel
   A. Zanjani, N.P. Reynolds, A. Zhang, T. Schilling, R. Mezzenga, J.T. Berryman
   Biophysical Journal 188, 2526 (2020).
   
   
5. Shape, connectedness percolation and electrical conductivity of clusters in suspensions of hard platelets
   A. Atashpendar, T. Ingenbrand, T. Schilling
   Physical Review E 101, 032706 (2020).
   
   
6. Temperature-driven localization in the Classical and Quantum Fermi-Pasta-Ulam Model
   G. Amati, T. Schilling
   Chaos 30, 033116 (2020).
   
   

2019

Journal Articles

1. Non-Markovian out-of-equilibrium dynamics: A general numerical procedure to construct time-dependent memory kernels for coarse-grained observables
   H. Meyer, P. Pelagejcev, T. Schilling
   Europhysics Letters 128, 40001 (2019).
   
   
2. Unusual geometric percolation of hard nanorods in the uniaxial nematic liquid crystalline phase
   S. P. Finner, A. Atashpendar, T. Schilling, P. van der Schoot
   Physical Review E 100, 062129 (2019).
   
   
3. Kinetic Control of Parallel versus Antiparallel Amyloid Aggregation via Shape of the Growing Aggregate
   A. Zanjani, N. P. Reynolds, A. Zhang, T. Schilling, R. Mezzenga, J. T. Berryman
   Scientific Reports 9, 15987 (2019).
   
   
4. Derivation of an exact, nonequilibrium framework for nucleation: Nucleation is a priori neither diffusive nor Markovian
   A. Kuhnhold, H. Meyer, G. Amati, P. Pelagejcev, T. Schilling
   Physical Review E 100, 052140 (2019).
   
   
5. High density percolation on the modified Bethe Lattice
   C. Widder, and T. Schilling
   Physical Review E 99, 052109 (2019).
   
   
6. On the dynamics of reaction coordinates in classical, time-dependent, many-body processes
   H. Meyer, Th. Voigtmann, and T. Schilling
   The Journal of Chemical Physics 150, 174118 (2019).
   
   
7. Connectivity, not density, dictates percolation in nematic liquid crystals of slender nanoparticles
   S. P. Finner, T. Schilling, and P. van der Schoot
   Physical Review Letters 122, 097801 (2019).
   
   
8. Memory Effects in the Fermi–Pasta–Ulam Model
   G. Amati, H. Meyer, and T. Schilling
   Journal of Statistical Physics 174, 219 (2019).
   
   

2018

Journal Articles

1. Simulation study of the electrical tunneling network conductivity of suspensions of hard spherocylinders
   A. Atashpendar, S. Arora, A. D. Rahm, and T. Schilling
   Physical Review E 98, 062611 (2018).
   
   
2. Equilibrium phase diagram of Mackay icosahedra
   M. Mravlak, and T. Schilling
   The Journal of Chemical Physics 149, 134502 (2018).
   
   
3. Screening lengths in ionic fluids
   F. Coupette, A. A. Lee, and A. Härtel
   Physical Review Letters 121, 075501(6pp) (2018).
   
   
4. Growth of films with anisotropic particles: Simulations and rate equations
   M. Dixit, T. Schilling, and M. Oettel
   The Journal of Chemical Physics 149, 064903 (2018).
   
   
5. Compression of a suspension of helical Yukawa rods
   A. Kuhnhold, S. M. Giesen, T. Schilling
   Molecular Physics 116, 2806 (2018).
   
   
6. Three-body correlations and conditional forces in suspensions of active hard disks
   A. Härtel, D. Richard, and T. Speck
   Physical Review E 97.1, 012606 (2018).
   
   

2017

Journal Articles

1. On the non-stationary generalized Langevin equation
   H. Meyer, T. Voigtmann, and T. Schilling
   The Journal of Chemical Physics 147.21, 214110 (2017).
   
   
2. Clearing out a maze: A model of chemotactic motion in porous media
   T. Schilling, and T. Voigtmann
   The Journal of Chemical Physics 147.21, 214905 (2017).
   
   
3. Monolayers of hard rods on planar substrates. II. Growth
   M. Klopotek, H. Hansen-Goos, M. Dixit, T. Schilling. F. Schreiber, M. Oettel
   The Journal of Chemical Physics 146 084903 (2017).
   
   
4. Elastic properties of the nematic phase in hard ellipsoids of short aspect ratio
   S. Heymans, T. Schilling
   Physical Review E 96(2) 022708 (2017).
   
   
5. Structure of electric double layers in capacitive systems and to what extent (classical) density functional theory describes it
   A. Härtel
   Journal of Physics: Condensed Matter 29, 423002(24pp) (2017).
   
   
6. Marginally compact fractal trees with semiflexibility.
   M. Dolgushev, A. L. Hauber, P. Pelagejcev, J. P. Wittmer
   Physical Review E 96, 012501 (2017).
   
   
7. Marginally compact hyperbranched polymer trees.
   M. Dolgushev, J. P. Wittmer, A. Johner, O. Benzerara, H. Meyer, J. Baschnagel
   Soft Matter 13, 2499-2512 (2017).
   
   
8. Information Dimension of Stochastic Processes on Networks: Relating Entropy Production to Spectral Properties.
   O. Mülken, S. Heinzelmann, M. Dolgushev
   Journal of Statistical Physics 167, 1233-1243 (2017).
   
   
9. Local NMR relaxation of dendrimers in the presence of hydrodynamic interactions.
   M. Dolgushev, S. Schnell, D. A. Markelov
   Applied Magnetic Resonance 48, 657-671 (2017).
   
   
10. NMR Relaxation in Dendrimers.
    D. A. Markelov, M. Dolgushev, E. Lähderanta
    Annual Reports on NMR Spectroscopy 91, 1-66 (2017).
    
    

2016

Journal Articles

1. Sequencing Chess
   A. Atashpendar, T. Schilling, Th. Voigtmann
   Europhysics Letters 116, 10009 (2016).
   
   
2. Isotropic-nematic transition and cholesteric phases of helical Yukawa rods
   A. Kuhnhold, T. Schilling
   The Journal of Chemical Physics 145, 194904 (2016).
   
   
3. Enhancing Self-Assembly in Cellulose Nanocrystal Suspensions Using High-Permittivity Solvents
   J. R. Bruckner, A. Kuhnhold, C. Honorato-Rios, T. Schilling, J. P. F. Lagerwall
   Langmuir 32 (38), 9854-9862, 10.1021/acs.langmuir.6b02647 (2016).
   
   
4. Monolayers of hard rods on planar substrates: I. Equilibrium
   M. Oettel, M. Klopotek, M. Dixit, E. Empting, T. Schilling, H. Hansen-Goos
   The Journal of Chemical Physics 145, 074902, http://dx.doi.org/10.1063/1.4960618 (2016).
   
   
5. Structure diagram of binary Lennard-Jones clusters
   M. Mravlak, T. Kister, T. Kraus, T. Schilling
   The Journal of Chemical Physics 145, 024302, http://dx.doi.org/10.1063/1.4954938 (2016).
   
   
6. Pressure-controlled self-assembly of crystalline, Janus, and core-shell supraparticles
   T. Kister, M. Mravlak, T. Schilling, T. Kraus,
   Nanoscale DOI: 10.1039/c6nr01940d (2016).
   
   
7. The Early Crystal Nucleation Process in Hard Spheres shows Synchronised Ordering and Densification
   J. Berryman, M. Anwar, S. Dorosz, T. Schilling
   The Journal of Chemical Physics 145, 211901, (dx.doi.org/10.1063/1.4953550) (2016).
   
   
8. Equilibrium Liquid Crystal Phase Diagrams and Detection of Kinetic Arrest in Cellulose Nanocrystal Suspensions
   C. Honorato Rios, A. Kuhnhold, J. Bruckner, R. Dannert, T. Schilling, J. Lagerwall
   Frontiers in Materials 3, 21 (2016).
   
   
9. Structural transition in a fluid of spheroids: a low-density vestige of jamming
   A. P. Cohen, S. Dorosz, A. B. Schofield, T. Schilling, and E. Sloutskin
   Physical Review Letters 116, 098001 (2016).
   
   
10. Dissipation in a Crystallization Process
    S. Dorosz, Th. Voigtmann, T. Schilling
    Europhysics Letters 113, 10004 (2016).
    
    
11. Connectivity Percolation in Suspensions of Attractive Square-Well Spherocylinders
    M. Dixit, H. Meyer, T. Schilling
    Physical Review E 93, 012116, arXiv:1510.03326 (2016).
    
    
12. Anisotropy and memory during cage breaking events close to a wall.
    M. Kohl, A. Härtel, and M. Schmiedeberg
    Journal of Physics: Condensed Matter 28, 505001(12pp) (2016). arXiv:1610.07846
    
    
13. Dense ionic fluids confined in planar capacitors: in- and out-of-plane structure from classical density functional theory.
    A. Härtel, S. Samin, and R. van Roij
    Journal of Physics: Condensed Matter 28, 244007(11pp) (2016). arXiv:1604.07965
    
    
14. Extended Vicsek fractals: Laplacian spectra and their applications.
    M. Dolgushev, H. X. Liu, Z. Z. Zhang
    Physical Review E 94, 052501 (2016).
    
    
15. Local orientational mobility in regular hyperbranched polymers.
    M. Dolgushev, D. A. Markelov, F. Fürstenberg, T. Guérin
    Physical Review E 94, 012502 (2016).
    
    
16. Dynamics of internally functionalized dendrimers.
    J. Grimm, M. Dolgushev
    Physical Chemistry Chemical Physics 18, 19050-19061 (2016).
    
    
17. Relaxation dynamics of semiflexible fractal macromolecules.
    J. Mielke, M. Dolgushev
    Polymers 8, 263 (2016).
    
    
18. Relaxation dynamics of small-world degree-distributed treelike polymer networks.
    M. Galiceanu, E. S. Oliveira, M. Dolgushev
    Physica A 462, 376-385 (2016).
    
    
19. Dynamics of comb-of-comb networks.
    H. X. Liu, Y. Lin, M. Dolgushev, Z. Z. Zhang
    Physical Review E 93, 032502 (2016).
    
    
20. Complex quantum networks: From universal breakdown to optimal transport.
    O. Mülken, M. Dolgushev, M. Galiceanu
    Physical Review E 93, 022304 (2016).
    
    
21. Directed transport in quantum star graphs.
    J. Yusupov, M. Dolgushev, A. Blumen, O. Mülken.
    Quantum Information Processing 15, 1765-1777 (2016).