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2

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3

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4

A. Arnold, J. de Joannis, and C. Holm. Electrostatics in periodic slab geometries II. The Journal of Chemical Physics, 117:2503–2512, 2002. doi:10.1063/1.1491954.

5

A. Arnold, J. de Joannis, and C. Holm. Electrostatics in periodic slab geometries I. The Journal of Chemical Physics, 117:2496–2502, 2002. doi:10.1063/1.1491955.

6

A. Arnold and C. Holm. MMM1D: A method for calculating electrostatic interactions in one-dimensional periodic geometries. The Journal of Chemical Physics, 123(12):144103, 2005. doi:10.1063/1.2052647.

7

A. Arnold, O. Lenz, S. Kesselheim, R. Weeber, F. Fahrenberger, D. Röhm, P. Košovan, and C. Holm. ESPResSo 3.1 — molecular dynamics software for coarse-grained models. In M. Griebel and M. A. Schweitzer, editors, Meshfree Methods for Partial Differential Equations VI, volume 89 of Lecture Notes in Computational Science and Engineering, pages 1–23. Springer Berlin Heidelberg, 2013. doi:10.1007/978-3-642-32979-1_1.

8

Axel Arnold and Christian Holm. A novel method for calculating electrostatic interactions in 2D periodic slab geometries. Chemical Physics Letters, 354:324–330, 2002. doi:10.1016/S0009-2614(02)00131-8.

9

Axel Arnold and Christian Holm. MMM2D: a fast and accurate summation method for electrostatic interactions in 2D slab geometries. Computer Physics Communications, 148(3):327–348, 2002. doi:10.1016/S0010-4655(02)00586-6.

10

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11

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12

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13

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14

Juan J. Cerdà, Vincent Ballenegger, Olaf Lenz, and Christian Holm. P3M algorithm for dipolar interactions. The Journal of Chemical Physics, 129:234104, 2008. doi:10.1063/1.3000389.

15

I. Cimrák, M. Gusenbauer, and I. Jančigová. An ESPResSo implementation of elastic objects immersed in a fluid. Computer Physics Communications, 185(3):900–907, 2014. doi:10.1016/j.cpc.2013.12.013.

16

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17

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18

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19

Joost de Graaf, Henri Menke, Arnold J.T.M. Mathijssen, Marc Fabritius, Christian Holm, and Tyler N. Shendruk. Lattice-Boltzmann hydrodynamics of anisotropic active matter. The Journal of Chemical Physics, 144:134106, 2016. doi:10.1063/1.4944962.

20

Markus Deserno. Counterion condensation for rigid linear polyelectrolytes. PhD thesis, Universität Mainz, February 2000. doi:10.25358/openscience-1411.

21

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22

Markus Deserno and Christian Holm. How to mesh up Ewald sums. II. An accurate error estimate for the Particle-Particle-Particle-Mesh algorithm. The Journal of Chemical Physics, 109:7694, 1998. doi:10.1063/1.477415.

23

Markus Deserno, Christian Holm, and Hans Jörg Limbach. How to mesh up Ewald sums. In R. Esser, P. Grassberger, J. Grotendorst, and M. Lewerenz, editors, Molecular Dynamics on Parallel Computers, 319–320. World Scientific, Singapore, 2000. doi:10.1142/9789812793768_0023.

24

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25

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27

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28

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29

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30

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31

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33

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34

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35

Owen A. Hickey, Christian Holm, James L. Harden, and Gary W. Slater. Implicit method for simulating electrohydrodynamics of polyelectrolytes. Physical Review Letters, 2010. doi:10.1103/PhysRevLett.105.148301.

36

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37

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38

J. Karl Johnson, Athanassios Z. Panagiotopoulos, and Keith E. Gubbins. Reactive canonical Monte Carlo: A new simulation technique for reacting or associating fluids. Molecular Physics, 81(3):717–733, 1994. doi:10.1080/00268979400100481.

39

Stefan Kesselheim, Marcello Sega, and Christian Holm. Applying ICC* to DNA translocation. Effect of dielectric boundaries. Computer Physics Communications, 182(1):33–35, 2011. doi:10.1016/j.cpc.2010.08.014.

40

Jiri Kolafa and John W. Perram. Cutoff errors in the Ewald summation formulae for point charge systems. Molecular Simulation, 9(5):351–368, 1992. doi:10.1080/08927029208049126.

41

A. Kolb and B. Dünweg. Optimized constant pressure stochastic dynamics. The Journal of Chemical Physics, 111(10):4453–59, 1999. doi:10.1063/1.479208.

42

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43

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44

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45

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46

Jonas Landsgesell, Christian Holm, and Jens Smiatek. Simulation of weak polyelectrolytes: A comparison between the constant pH and the reaction ensemble method. European Physical Journal Special Topics, 226(4):725–736, 2017. doi:10.1140/epjst/e2016-60324-3.

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49

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50

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59

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65

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67

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71

Sandeep Tyagi, Mehmet Süzen, Marcello Sega, Marcia C. Barbosa, Sofia S. Kantorovich, and Christian Holm. An iterative, fast, linear-scaling method for computing induced charges on arbitrary dielectric boundaries. The Journal of Chemical Physics, 132:154112, 2010. doi:10.1063/1.3376011.

72

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