Christoph Junghans

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Kurt KremerProfessor, Max Planck Institute for Polymer ResearchPotvrđena adresa e-pošte na mpip-mainz.mpg.de
Matej PraprotnikLaboratory for Molecular Modeling, National Institute of Chemistry, Ljubljana, SloveniaPotvrđena adresa e-pošte na cmm.ki.si
Luigi Delle SiteInstitute for Mathematics, Department of Mathematics and Computer Science, Freie Universität BerlinPotvrđena adresa e-pošte na fu-berlin.de
Wolfhard JankeInstitute for Theoretical Physics, University of LeipzigPotvrđena adresa e-pošte na itp.uni-leipzig.de
Victor RuehleMicrosoftPotvrđena adresa e-pošte na microsoft.com
Timothy C. GermannLos Alamos National LaboratoryPotvrđena adresa e-pošte na lanl.gov
Robert PavelLos Alamos National LaboratoryPotvrđena adresa e-pošte na lanl.gov
Animesh AgarwalPotvrđena adresa e-pošte na fu-berlin.de
Susan MniszewskiScientist, Los Alamos National LaboratoryPotvrđena adresa e-pošte na lanl.gov
Denis AndrienkoMax Planck Institute for Polymer ResearchPotvrđena adresa e-pošte na mpip-mainz.mpg.de
Björn BaumeierEindhoven University of TechnologyPotvrđena adresa e-pošte na tue.nl
Danny PerezLos Alamos National LaboratoryPotvrđena adresa e-pošte na lanl.gov
Simón PobleteAssistant Professor. Universidad San Sebastián, Fundación Ciencia y VidaPotvrđena adresa e-pošte na cienciavida.org
Giovanni CiccottiDept of Physics, University of Rome "La Sapienza"Potvrđena adresa e-pošte na roma1.infn.it
Nicholas LubbersComputer, Computational, and Statistical Sciences Division, Los Alamos National LaboratoryPotvrđena adresa e-pošte na lanl.gov
Gianluca TirimbòPhD Student, Eindhoven University of TechnologyPotvrđena adresa e-pošte na tue.nl
Han Wang (王涵)Institute of Applied Physics and Computational MathematicsPotvrđena adresa e-pošte na iapcm.ac.cn
Kipton BarrosLos Alamos National LaboratoryPotvrđena adresa e-pošte na lanl.gov
Robert BirdLos Alamos National LaboratoryPotvrđena adresa e-pošte na lanl.gov
Debashish MukherjiPotvrđena adresa e-pošte na ubc.ca

Prati

Christoph Junghans

Los Alamos National Laboratory

Potvrđena adresa e-pošte na lanl.gov - Početna stranica

Molecular dynamics multi-scale simulations coarse-graining Co-Design


Naslov Poredaj po navodima Poredaj po godini Poredaj po naslovu	Citirano Citirano	Godina
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	39	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	33	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	30	2023

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