| 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 | 538 | 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 | 320 | 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 | 178 | 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 | 158 | 2007 |
| Microcanonical analyses of peptide aggregation processes C Junghans, M Bachmann, W Janke Physical review letters 97 (21), 218103, 2006 | 143 | 2006 |
| 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 | 84 | 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 | 80 | 2012 |
| 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 | 76 | 2008 |
| Hybrid Approaches to Coarse‐Graining using the VOTCA Package: Liquid Hexane V Rühle, C Junghans Macromolecular Theory and Simulations 20 (7), 472-477, 2011 | 72 | 2011 |
| 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 | 72 | 2010 |
| 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 | 69 | 2012 |
| 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 | 53 | 2014 |
| Statistical mechanics of aggregation and crystallization for semiflexible polymers C Junghans, M Bachmann, W Janke EPL (Europhysics Letters) 87, 40002, 2009 | 48 | 2009 |
| 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 | 47 | 2018 |
| 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 | 47 | 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 | 40 | 2019 |
| 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 | 36 | 2021 |
| 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 | 34 | 2020 |
| 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 | 33 | 2020 |
| Parthenon—a performance portable block-structured adaptive mesh refinement framework P Grete, JC Dolence, JM Miller, J Brown, B Ryan, A Gaspar, F Glines, ... The International Journal of High Performance Computing Applications 37 (5 …, 2023 | 29 | 2023 |
Kurt KremerProfessor, Max Planck Institute for Polymer ResearchVerified email at mpip-mainz.mpg.de