Funded by

 

2019

  1. Baz, J ; Held, C ; Pleiss, Jürgen ; Hansen, N: Thermophysical properties of glyceline-water mixtures investigated by molecular modelling. In: Physical Chemistry Chemical Physics, Physical Chemistry Chemical Physics. Bd. 21 (2019b), S. 6467–6476
  2. Baz, J. ; Hansen, N. ; Groß, J.: On the Use of Transport Properties to Discriminate Molecular Models for 1-propanol Optimized Against VLE Data. In: Holm, C. ; Ertl, T. ; Schmauder, S. ; Kästner, J. ; Groß, J. (Hrsg.) The European Physical Journal (Special Topics), The European Physical Journal (Special Topics). Bd. 227: Particle Methods in Natural Science and Engineering (2019a), Nr. 14, S. 1529–1546
  3. Copplestone, S. M. ; et al.: Coupling Molecular Dynamics and Particle-In-Cell Methods for Simulating Laser Ablation Processes. In: Plasma Physics and Controlled Fusion, Plasma Physics and Controlled Fusion. (2019)
  4. Copplestone, S.M. ; Pfeiffer, M. ; Fasoulas, S. ; Munz, C.-D.: High-order Particle-In-Cell simulations of laser-plasma interaction. In: Holm, C. ; Ertl, T. ; Schmauder, S. ; Kästner, J. ; Groß, J. (Hrsg.) The European Physical Journal (Special Topics), The European Physical Journal (Special Topics). Bd. 227: Particle Methods in Natural Science and Engineering (2019), Nr. 14, S. 1603–1614
  5. Eisfeld, E. ; Trebin, H.-R. ; Roth, J.: A wide-range modeling approach for the thermal conductivity and dielectric function of solid and liquid aluminum. In: Holm, C. ; Ertl, T. ; Schmauder, S. ; Kästner, J. ; Groß, J. (Hrsg.) The European Physical Journal (Special Topics), The European Physical Journal (Special Topics). Bd. 227: Particle Methods in Natural Science and Engineering (2019), Nr. 14, S. 1575–1590
  6. Ferrario, V. ; Pleiss, J.: Molecular simulations of enzymes under non-natural conditions. In: Holm, C. ; Ertl, T. ; Schmauder, S. ; Kästner, J. ; Groß, J. (Hrsg.) The European Physical Journal (Special Topics), The European Physical Journal (Special Topics). Bd. 227: Particle Methods in Natural Science and Engineering227 (2019), Nr. 14, S. 1631–1638
  7. Hertkorn, J. ; Wrachtrup, J. ; Fyta, M.: Vacancy defect centers in diamond: influence of surface termination. In: Holm, C. ; Ertl, T. ; Schmauder, S. ; Kästner, J. ; Groß, J. (Hrsg.) The European Physical Journal (Special Topics), The European Physical Journal (Special Topics). Bd. 227: Particle Methods in Natural Science and Engineering (2019), Nr. 14, S. 1591–1602
  8. Hertkorn, J. ; Fyta, M.: Electronic features of vacancy, nitrogen, and phosphorus defects in nanodiamonds. (2019)
  9. Hirschmann, S. ; Glass, C. W. ; Pflüger, D.: Enabling Unstructured Domain Decompositions for Inhomogeneous Short-Range Molecular Dynamics in ESPResSo. Particle Methods in Natural Science and Engineering. In: Holm, C. ; Ertl, T. ; Schmauder, S. ; Kästner, J. ; Groß, J. (Hrsg.) The European Physical Journal (Special Topics), The European Physical Journal (Special Topics). Bd. 227: Particle Methods in Natural Science and Engineering (2019), Nr. 14, S. 1779–1788
  10. Hopp-Hirschler, M. ; Nieken, U.: Fully implicit time integration in truly incompressible SPH. In: Holm, C. ; Ertl, T. ; Schmauder, S. ; Kästner, J. ; Groß, J. (Hrsg.) The European Physical Journal (Special Topics), The European Physical Journal (Special Topics). Bd. 227: Particle Methods in Natural Science and Engineering (2019), Nr. 14, S. 1501–1514
  11. Hopp-Hirschler, Manuel ; Safdari Shadloo, Mostafa ; Nieken, Ulrich: Viscous fingering phenomena in the early stage of polymer membrane formation. In: Journal of Fluid Mechanics, Journal of Fluid Mechanics. Bd. 864, Cambridge University Press (2019b), S. 97–140
  12. Hopp-Hirschler, Manuel ; Baz, Jörg ; Hansen, Niels ; Nieken, Ulrich: Generalized Fickian approach for phase separating fluid mixtures in Smoothed Particle Hydrodynamics. In: Computers & Fluids, Computers & Fluids. Bd. 179, Elsevier BV (2019a), S. 78--90
  13. Lipp, S.H.H. ; Schmauder, S.: Precipitation, planar defects and dislocations in alloys: Simulations on Ni3Si and Ni3Al precipitates. In: Holm, C. ; Ertl, T. ; Schmauder, S. ; Kästner, J. ; Groß, J. (Hrsg.) The European Physical Journal (Special Topics), The European Physical Journal (Special Topics). Bd. 227: Particle Methods in Natural Science and Engineering (2019), Nr. 14, S. 1559–1574
  14. Maier, F. ; Hocker, S. ; Schmauder, S. ; Fyta, M.: Interplay of structural, electronic and transport features in copper alloys. In: Journal of Alloys and Compounds, Journal of Alloys and Compounds. Bd. 777 (2019c), S. 619–626
  15. Maier, F. C. ; Fyta, M.: Influence of dynamics on the conductance across functionalized electrodes for biodetection. (2019)
  16. Maier, F. C. ; Sarap, C. S. ; Dou, M. ; Sivaraman, G. ; Fyta, M.: Diamondoid-functionalized nanogaps: From small molecules to electronic biosensing. In: Holm, C. ; Ertl, T. ; Schmauder, S. ; Kästner, J. ; Groß, J. (Hrsg.) The European Physical Journal (Special Topics), The European Physical Journal (Special Topics). Bd. 227: Particle Methods in Natural Science and Engineering (2019b), Nr. 14, S. 1681--1692
  17. Maier, F. C. ; Dou, M. ; Fyta, M.: Solvent effects in the transmission across diamondoid-functionalized gaps reading-out DANN. (2019a)
  18. Mehl, M. ; Lahnert, M.: Adaptive grid implementation for parallel continuum mechanics methods in particle simulations. In: Holm, C. ; Ertl, T. ; Schmauder, S. ; Kästner, J. ; Groß, J. (Hrsg.) The European Physical Journal (Special Topics), The European Physical Journal (Special Topics). Bd. 227: Particle Methods in Natural Science and Engineering (2019), Nr. 14, S. 1757–1778
  19. Oprzeska-Zingrebe, Ewa Anna ; Kohagen, Miriam ; Kästner, Johannes ; Smiatek, Jens: Unfolding of DNA by co-solutes: insights from Kirkwood--Buff integrals and transfer free energies. In: Holm, C. ; Ertl, T. ; Schmauder, S. ; Kästner, J. ; Groß, J. (Hrsg.) The European Physical Journal (Special Topics), The European Physical Journal (Special Topics). Bd. 227: Particle Methods in Natural Science and Engineering (2019), Nr. 14, S. 1665--1679
  20. Ortwein, P. ; Copplestone, S.M. ; Munz, C.-D. ; Binder, T. ; Reschke, W. ; Fasoulas, S.: A particle localization algorithm on unstructured curvilinear polynomial meshes. In: Computer Physics Communications, Computer Physics Communications. Bd. 235 (2019), S. 63–74
  21. Pfeiffer, M. ; Hindenlang, F. ; Binder, T. ; Copplestone, S. M. ; Munz, C.-D. ; Fasoulas, S.: A Particle-In-Cell Solver based on a High-order Hybridizable Discontinuous Galerkin Spectral Element Method on Unstructured Curved Meshes. In: Computer Methods in Applied Mechanics and Engineering, Computer Methods in Applied Mechanics and Engineering. (2019)
  22. Smiljanic, M. ; Pflüger, D. ; Weeber, R. ; Holm, C. ; Kronenburg, A.: Developing coarse-grained models for agglomerate growth. In: Holm, C. ; Ertl, T. ; Schmauder, S. ; Kästner, J. ; Groß, J. (Hrsg.) The European Physical Journal (Special Topics), The European Physical Journal (Special Topics). Bd. 227: Particle Methods in Natural Science and Engineering (2019), Nr. 14, S. 1515–1528
  23. Weik, F. ; Szuttor, K. ; Landsgesell, J. ; Holm, C.: Modeling the current modulation of dsDNA in nanopores – from mean-field to atomistic and back. In: Holm, C. ; Ertl, T. ; Schmauder, S. ; Kästner, J. ; Groß, J. (Hrsg.) The European Physical Journal (Special Topics), The European Physical Journal (Special Topics). Bd. 227: Particle Methods in Natural Science and Engineering (2019), Nr. 14, S. 1639–1656
  24. Zhou, Liang ; Weiskopf, Daniel: Multivariate Visualization of Particle Data. In: The European Physical Journal (Special Topics), The European Physical Journal (Special Topics). Bd. 227: Particle Methods in Natural Science and Engineering (2019), Nr. 14, S. 1741--1756
  25. Álvarez-Barcia, Sonia ; Kästner, Johannes: Copper coordination in formylglycine generating enzymes. In: Holm, C. ; Ertl, T. ; Schmauder, S. ; Kästner, J. ; Groß, J. (Hrsg.) The European Physical Journal (Special Topics), The European Physical Journal (Special Topics). Bd. 227: Particle Methods in Natural Science and Engineering (2019), Nr. 14, S. 1657--1664