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