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Christoph Junghans
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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
5252009
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
3162009
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
1772012
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
1532007
Microcanonical analyses of peptide aggregation processes
C Junghans, M Bachmann, W Janke
Physical review letters 97 (21), 218103, 2006
1372006
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
802015
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
802012
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
752008
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
722010
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
692012
Hybrid Approaches to Coarse‐Graining using the VOTCA Package: Liquid Hexane
V Rühle, C Junghans
Macromolecular Theory and Simulations 20 (7), 472-477, 2011
682011
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
512014
Statistical mechanics of aggregation and crystallization for semiflexible polymers
C Junghans, M Bachmann, W Janke
EPL (Europhysics Letters) 87, 40002, 2009
472009
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), 2018
462018
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
442018
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
382019
Modeling and scale-bridging using machine learning: nanoconfinement effects in porous media
N Lubbers, A Agarwal, Y Chen, S Son, M Mehana, Q Kang, S Karra, ...
Scientific Reports 10 (1), 13312, 2020
312020
Excited-state electronic structure of molecules using many-body Green’s functions: Quasiparticles and electron–hole excitations with VOTCA-XTP
G Tirimbò, V Sundaram, O Çaylak, W Scharpach, J Sijen, C Junghans, ...
The Journal of Chemical Physics 152 (11), 114103, 2020
302020
A reference implementation of the adaptive resolution scheme in ESPResSo
C Junghans, S Poblete
Computer Physics Communications 181 (8), 1449-1454, 2010
292010
Enabling particle applications for exascale computing platforms
SM Mniszewski, J Belak, JL Fattebert, CFA Negre, SR Slattery, ...
The International Journal of High Performance Computing Applications 35 (6 …, 2021
282021
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