Christoph Junghans
Citado por
Citado por
Versatile object-oriented toolkit for coarse-graining applications
V Rühle, C Junghans, A Lukyanov, K Kremer, D Andrienko
Journal of Chemical Theory and Computation 5 (12), 3211-3223, 2009
Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?
H Wang, C Junghans, K Kremer
The European Physical Journal E: Soft Matter and Biological Physics 28 (2 …, 2009
Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir
S Fritsch, S Poblete, C Junghans, G Ciccotti, L Delle Site, K Kremer
Physical Review Letters 108, 170602, 2012
Transport properties controlled by a thermostat: An extended dissipative particle dynamics thermostat
C Junghans, M Praprotnik, K Kremer
Soft Matter 4 (1), 156-161, 2007
Microcanonical analyses of peptide aggregation processes
C Junghans, M Bachmann, W Janke
Physical review letters 97 (21), 218103, 2006
Thermodynamics of peptide aggregation processes: An analysis from perspectives of three statistical ensembles
C Junghans, M Bachmann, W Janke
The Journal of chemical physics 128, 085103, 2008
Communication: On the locality of Hydrogen bond networks at hydrophobic interfaces
BP Lambeth, C Junghans, K Kremer, C Clementi, L Delle Site
The Journal of chemical physics 133 (22), 221101, 2010
Relative entropy and optimization-driven coarse-graining methods in VOTCA
SY Mashayak, MN Jochum, K Koschke, NR Aluru, V Rühle, C Junghans
PLoS one 10 (8), e0131754, 2015
Kirkwood-Buff coarse-grained force fields for aqueous solutions
P Ganguly, D Mukherji, C Junghans, NFA van der Vegt
Journal of Chemical Theory and Computation 8 (5), 1802–1807, 2012
Structure formation of toluene around C60: Implementation of the Adaptive Resolution Scheme (AdResS) into GroMaCS
S Fritsch, C Junghans, K Kremer
Journal of Chemical Theory and Computation 8 (2), 398-403, 2012
Hybrid Approaches to Coarse‐Graining using the VOTCA Package: Liquid Hexane
V Rühle, C Junghans
Macromolecular Theory and Simulations 20 (7), 472-477, 2011
Statistical mechanics of aggregation and crystallization for semiflexible polymers
C Junghans, M Bachmann, W Janke
EPL (Europhysics Letters) 87, 40002, 2009
Molecular Dynamics in the Multicanonical Ensemble: Equivalence of Wang-Landau Sampling, Statistical Temperature Molecular Dynamics, and Metadynamics
C Junghans, D Perez, T Vogel
Journal of Chemical Theory and Computation 10, 1843-1847, 2014
Adaptive resolution molecular dynamics technique: Down to the essential
C Krekeler, A Agarwal, C Junghans, M Praprotnik, L Delle Site
The Journal of Chemical Physics 149 (2), 024104, 2018
ESPResSo++ 2.0: Advanced methods for multiscale molecular simulation
HV Guzman, N Tretyakov, H Kobayashi, AC Fogarty, K Kreis, J Krajniak, ...
Computer Physics Communications 238, 66-76, 2019
A reference implementation of the adaptive resolution scheme in ESPResSo
C Junghans, S Poblete
Computer Physics Communications 181 (8), 1449-1454, 2010
Adaptive resolution simulation of salt solutions
S Bevc, C Junghans, K Kremer, M Praprotnik
New Journal of Physics 15, 105007, 2013
Electronic Excitations in Complex Molecular Environments: Many-Body Green's Functions Theory in VOTCA-XTP
J Wehner, L Brombacher, J Brown, C Junghans, O Caylak, Y Khalak, ...
Journal of chemical theory and computation, 2018
Spatial adaptive sampling in multiscale simulation
B Rouet-Leduc, K Barros, E Cieren, V Elango, C Junghans, T Lookman, ...
Computer Physics Communications 185 (7), 1857-1864, 2014
Distributed Database Kriging for Adaptive Sampling (D2KAS)
D Roehm, RS Pavel, K Barros, B Rouet-Leduc, AL McPherson, ...
Computer Physics Communications 192, 138-147, 2015
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