Modern Simulation Approaches in Soft Matter Science: From Fundamental Understanding to Industrial Applications

In this topical collection (34 articles)

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1. Erratum

   Erratum to: The raspberry model for protein-like particles: Ellipsoids and confinement in cylindrical pores

   Vincent D. Ustach, Roland Faller Page 2

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2. Editorial

   Editorial

   Luigi Delle Site, Markus Deserno… Pages 1317-1321

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3. 

   Regular Article

   Comparison of iterative inverse coarse-graining methods

   David Rosenberger, Martin Hanke… Pages 1323-1345

4. 

   Regular Article

   Parametrizing coarse grained models for molecular systems at equilibrium

   E. Kalligiannaki, A. Chazirakis, A. Tsourtis… Pages 1347-1372

5. 

   Regular Article

   Concurrent parametrization against static and kinetic information leads to more robust coarse-grained force fields

   J.F. Rudzinski, T. Bereau Pages 1373-1389

6. 

   Regular Article

   Optimized atomistic force fields for aqueous solutions of Magnesium and Calcium Chloride: Analysis, achievements and limitations

   Roman Elfgen, Marco Hülsmann, Andreas Krämer… Pages 1391-1409

7. 

   Regular Article

   A principle in dynamic coarse graining–Onsager principle and its applications

   M. Doi Pages 1411-1421

8. 

   Regular Article

   Studying PMMA films on silica surfaces with generic microscopic and mesoscale models

   J. Zhang, D. Mukherji, K.Ch. Daoulas Pages 1423-1440

9. 

   Regular Article

   Comparison of systematic coarse-graining strategies for soluble conjugated polymers

   C. Scherer, D. Andrienko Pages 1441-1461

10. 

    Regular Article

    Representing environment-induced helix-coil transitions in a coarse grained peptide model

    Cahit Dalgicdir, Christoph Globisch… Pages 1463-1481

11. 

    Regular Article

    Thermodynamic translational invariance in concurrent multiscale simulations of liquids

    R. Everaers Pages 1483-1503

12. 

    Regular Article

    Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations

    M. Heidari, R. Cortes-Huerto, D. Donadio… Pages 1505-1526

13. 

    Regular Article

    A hybrid particle-continuum resolution method and its application to a homopolymer solution

    S. Qi, H. Behringer, T. Raasch, F. Schmid Pages 1527-1549

14. 

    Regular Article

    Multi-scale simulation method for electroosmotic flows

    Lin Guo, Shiyi Chen, Mark O. Robbins Pages 1551-1582

15. Regular Article

    Current fluctuations in nanopores: The effects of electrostatic and hydrodynamic interactions

    Mira Zorkot, Ramin Golestanian… Pages 1583-1594

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16. Regular Article

    Adaptive resolution simulation of an atomistic DNA molecule in MARTINI salt solution

    J. Zavadlav, R. Podgornik, M.N. Melo… Pages 1595-1607

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17. 

    Regular Article

    Avoiding traps in trajectory space: Metadynamics enhanced transition path sampling

    E.E. Borrero, C. Dellago Pages 1609-1620

18. 

    Regular Article

    Chemical potential calculations in dense liquids using metadynamics

    C. Perego, F. Giberti, M. Parrinello Pages 1621-1628

19. 

    Regular Article

    On the establishment of thermal diffusion in binary Lennard-Jones liquids

    M. Ferrario, S. Bonella, G. Ciccotti Pages 1629-1642

20. 

    Regular Article

    The raspberry model for protein-like particles: Ellipsoids and confinement in cylindrical pores

    Vincent D. Ustach, Roland Faller Pages 1643-1662

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