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Accelerating the calculation of dipolar interactions in particle based simulations with open boundary conditions by means of the (PNFFT)-N-2 method

R. Weeber, F. Nestler, F. Weik, M. Pippig, D. Potts, and C. Holm. Journal of Computational Physics, (2019)
DOI: 10.1016/j.jcp.2019.01.044

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Univ. -Prof. Ph. D. Christian Holm University of Stuttgart

Replication Data for: Generating Minimal Training Sets for Machine Learned PotentialsJ. Finkbeiner, S. Tovey, and C. Holm. Dataset, (2024)Related to: Jan Finkbeiner, Samuel Tovey, Christian Holm: Generating Minimal Training Sets for Machine Learned Potentials (2023). arXiv: 2309.03840.

Christian León University of Stuttgart

Christian Hölzl University of Stuttgart

Christian Bartsch University of Stuttgart

Christian Semmler University of Stuttgart

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An iterative, fast, linear-scaling method for computing induced charges on arbitrary dielectric boundaries in large system simulationsS. Tyagi, M. Süzen, M. Sega, M. Barbosa, S. Kantorovich, and C. Holm. J. Chem. Phys., (2010)Modeling DNA in NanoporesS. Kesselheim, and C. Holm. Pan Stanford, (2013)A lattice Boltzmann model for squirmersM. Kuron, P. Stärk, C. Burkard, J. de Graaf, and C. Holm. The Journal of Chemical Physics, 150 (14): 144110 (2019)Hydrodynamic mobility reversal of squirmers near flat and curved surfacesM. Kuron, P. Stärk, C. Holm, and J. de Graaf. Soft Matter, 15 (29): 5908--5920 (2019)PDADMAC/PSS Oligoelectrolyte Multilayers: Internal Structure and Hydration Properties at Early Growth Stages from Atomistic SimulationsP. Sánchez, M. Vögele, J. Smiatek, B. Qiao, M. Sega, and C. Holm. Molecules, 25 (8): 1848 (April 2020)The control effort to steer self-propelled microswimmers depends on their morphology: comparing symmetric spherical versus asymmetric <i>L</i>-shaped particlesJ. Riede, C. Holm, S. Schmitt, and D. Haeufle. Royal Society Open Science, 8 (9): 201839 (2021)Simulations of ionization equilibria in weak polyelectrolyte solutions and gelsJ. Landsgesell, L. Nová, O. Rud, F. Uhlík, D. Sean, P. Hebbeker, C. Holm, and P. Košovan. Soft Matter, 15 (6): 1155-1185 (2019)Influence of Cosolutes on Chemical Equilibrium: a Kirkwood–Buff Theory for Ion Pair Association–Dissociation Processes in Ternary Electrolyte SolutionsA. Krishnamoorthy, C. Holm, and J. Smiatek. The Journal of Physical Chemistry C, 122 (19): 10293--10302 (April 2018)Charge Me Slowly, I Am in a Hurry: Optimizing Charge–Discharge Cycles in Nanoporous SupercapacitorsK. Breitsprecher, C. Holm, and S. Kondrat. ACS Nano, 12 (10): 9733--9741 (August 2018)Assessing the Validity of NMR Relaxation Rates Obtained from Coarse-Grained Simulations of PEG–Water MixturesS. Gravelle, D. Beyer, M. Brito, A. Schlaich, and C. Holm. The Journal of Physical Chemistry B, 127 (25): 5601--5608 (June 2023)