Publications of Christoph Junghans
All genres
Journal Article (19)
2019
Journal Article
238, pp. 66 - 76 (2019)
ESPResSo++ 2.0: Advanced methods for multiscale molecular simulation. Computer Physics Communications 2018
Journal Article
14 (12), pp. 6253 - 6268 (2018)
Electronic Excitations in Complex Molecular Environments: Many-Body Green's Functions Theory in VOTCA-XTP. Journal of Chemical Theory and Computation 2017
Journal Article
96 (5), 053311 (2017)
Scalable and fast heterogeneous molecular simulation with predictive parallelization schemes. Physical Review E 2016
Journal Article
144 (17), 174106 (2016)
C-IBI: Targeting cumulative coordination within an iterative protocol to derive coarse-grained models of (multi-component) complex fluids. The Journal of Chemical Physics 2015
Journal Article
10 (7), e0131754 (2015)
Relative Entropy and Optimization-Driven Coarse-Graining Methods in VOTCA. PLoS One 2013
Journal Article
15, 105007 (2013)
Adaptive resolution simulation of salt solutions. New Journal of Physics 2012
Journal Article
8 (2), pp. 398 - 403 (2012)
Structure Formation of Toluene around C60: Implementation of the Adaptive Resolution Scheme (AdResS) into GROMACS. Journal of Chemical Theory and Computation
Journal Article
108 (17), 170602 (2012)
Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir. Physical Review Letters
Journal Article
8 (5), pp. 1802 - 1807 (2012)
Kirkwood-Buff Coarse-Grained Force Fields for Aqueous Solutions. Journal of Chemical Theory and Computation 2011
Journal Article
182 (9), pp. 1937 - 1940 (2011)
Hierarchies in nucleation transitions. Computer Physics Communications
Journal Article
20 (7), pp. 472 - 477 (2011)
Hybrid Approaches to Coarse-Graining using the VOTCA Package: Liquid Hexane. Macromolecular Theory and Simulations 2010
Journal Article
181 (8), pp. 1447 - 1452 (2010)
A reference implementation of the adaptive resolution scheme in ESPResSo. Computer Physics Communications
Journal Article
133 (22), 221101 (2010)
Communication: On the locality of Hydrogen bond networks at hydrophobic interfaces. Journal of Chemical Physics 2009
Journal Article
87 (4), 40002 (2009)
Statistical mechanics of aggregation and crystallization for semiflexible polymers. EPL
Journal Article
5 (12), pp. 3211 - 3223 (2009)
Versatile Object-Oriented Toolkit for Coarse-Graining Applications. Journal of Chemical Theory and Computation
Journal Article
28 (2), pp. 221 - 229 (2009)
Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining? European Physical Journal E 2008
Journal Article
128 (8), 085103 (2008)
Thermodynamics of peptide aggregation processes: An analysis from perspectives of three statistical ensembles. Journal of Chemical Physics
Journal Article
4 (1), pp. 156 - 161 (2008)
Transport properties controlled by a thermostat: An extended dissipative particle dynamics thermostat. Soft Matter
Journal Article
179 (1-3), pp. 51 - 60 (2008)
Simulation approaches to soft matter: Generic statistical properties vs. chemical details. Computer Physics Communications Book Chapter (1)
2009
Book Chapter
Adaptive Resolution Schemes. In: Multiscale Simulation Methods in Molecular Sciences, pp. 359 - 379 (Eds. Grotendorst; J.; Attig; N.; Blügel et al.). Forschungszentrum Jülich, Jülich (2009)