Publications of Torsten Stühn

Vance, J.; Xu, Z.-H.; Tretyakov, N.; Stühn, T.; Rampp, M.; Eibl, S.; Junghans, C.; Brinkmann, A.: Code modernization strategies for short-range non-bonded molecular dynamics simulations. Computer Physics Communications 290, 108760 (2023)

Guzman, H. V.; Tretyakov, N.; Kobayashi, H.; Fogarty, A. C.; Kreis, K.; Krajniak, J.; Junghans, C.; Kremer, K.; Stühn, T.: ESPResSo++ 2.0: Advanced methods for multiscale molecular simulation. Computer Physics Communications 238, pp. 66 - 76 (2019)

Zhang, G.; Chazirakis, A.; Harmandaris, V. A.; Stühn, T.; Daoulas, K. C.; Kremer, K.: Hierarchical modelling of polystyrene melts: from soft blobs to atomistic resolution. Soft Matter 15 (2), pp. 289 - 302 (2019)

Guzman, H. V.; Junghans, C.; Kremer, K.; Stuehn, T.: Scalable and fast heterogeneous molecular simulation with predictive parallelization schemes. Physical Review E 96 (5), 053311 (2017)

Mukherji, D.; Marques, C. M.; Stuehn, T.; Kremer, K.: Depleted depletion drives polymer swelling in poor solvent mixtures. Nature Communications 8, 1374 (2017)

Moreira, L. A.; Zhang, G.; Müller, F.; Stuehn, T.; Kremer, K.: Direct Equilibration and Characterization of Polymer Melts for Computer Simulations. Macromolecular Theory and Simulations 24 (5 ), pp. 419 - 431 (2015)

Mukherji, D.; Marques, C. M.; Stuehn, T.; Kremer, K.: Co-non-solvency: Mean-field polymer theory does not describe polymer collapse transition in a mixture of two competing good solvents. The Journal of Chemical Physics 142 (11), 114903 (2015)

Zhang, G.; Stuehn, T.; Daoulas, K. C.; Kremer, K.: Communication: One size fits all: Equilibrating chemically different polymer liquids through universal long-wavelength description. The Journal of Chemical Physics 142 (22), 221102 (2015)

Zhang, G.; Moreira, L. A.; Stuehn, T.; Daoulas, K. C.; Kremer, K.: Equilibration of High Molecular Weight Polymer Melts: A Hierarchical Strategy. ACS Macro Letters 3 (2), pp. 198 - 203 (2014)

Halverson, J. D.; Brandes, T.; Lenz, O.; Arnold, A.; Bevc, S.; Starchenko, V.; Kremer, K.; Stuehn, T.; Reith, D.: ESPResSo++: A modern multiscale simulation package for soft matter systems. Computer Physics Communications 184 (4), pp. 1129 - 1149 (2013)

Hsu, H.-P.; Zhang, G.; Stühn, T.; Daoulas, K.; Kremer, K.: Hierarchical Modelling of Entangled Polymer Melts: Structure and Rheology. In: NIC Series, Vol. 49, pp. 303 - 312 (Eds. Binder, K.; Müller, M.; Trautmann, A.). NIC Symposium, Jülich, February 22, 2018 - February 23, 2018. John von Neumann Institute for Computing (NIC), Jülich (2018)

Zhang, G.; Stühn, T.; Daoulas, K. C.; Kremer, K.: Hierarchical Modelling of High-Molecular Weight Polymer Melts: From Soft Blobs to Microscopic Description. In: NIC Series, Vol. 48, pp. 261 - 270 (Eds. Binder, K.; Müller, M.; Kremer, M.; Schnurpfeil, A.). NIC Symposium, Jülich, February 11, 2016 - February 12, 2016. John von Neumann Institute for Computing (NIC), Jülich (2016)

Zhang, G.; Moreira, L.; Stühn, T.; Daoulas, K.; Kremer, K.: Equilibration of high molecular-weight polymer melts: A hierarchical universal strategy. In Abstracts of Papers of the American Chemical Society, 249, 236. 249th National Meeting of the American-Chemical-Society (ACS), Denver, CO, March 20, 2015 - March 27, 2015. (2015)