A Escañuela-Copado, J López-Molina, M Kanduč, AB Jódar-Reyes, M Tirado-Miranda, D Bastos-González, JM Peula-García, I Adroher-Benítez, A Moncho-Jordá, "Diffusion and Interaction Effects On Molecular Release Kinetics From Collapsed Microgels", ACS Applied Polymer Materials (2024)
M Pedrosa, A Moncho-Jordá, MJ Gálvez-Ruiz, M Kanduč, "Impact of cholesterol on the structure and phase separation of DPPC Langmuir monolayers: Experiments and simulations", Surfaces and Interfaces, 104757 (2024)
E Schneck, J Reed, T Seki, Y Nagata, M Kanduč, "Experimental and simulation-based characterization of surfactant adsorption layers at fluid interfaces", Advances in Colloid and Interface Science, 103237 (2024)
B Liu, S Babaei, M Kanduč, S Tian, L Bai, Y Xu, M Ostadhassan, "Helium expansion Revisited: Effects of accessible volume on excess adsorption in kerogen matrices", Chemical Engineering Journal, 152690 (2024)
M Kanduč, J Reed, A Schlaich, E Schneck, "Molecular dynamics simulations as support for experimental studies on surfactant interfacial layers", Current Opinion in Colloid & Interface Science, 101816
A. Schlaich, J.O. Daldrop, B. Kowalik, M. Kanduč, E. Schneck, R.R. Netz, "Water structuring induces nonuniversal hydration repulsion between polar surfaces: quantitative comparison between molecular simulations, theory, and experiments", Langmuir 40 (15), 7896-7906 (2024)
N. Sanchouli, S. Babaei, M. Kanduč, F. Molaei, M. Ostadhassan, "Wetting Behavior of Kerogen Surfaces: Insights from Molecular Dynamics," Langmuir 40, 5715 (2024)
S. Mamatkulov, J. Polák, J. Razzokov, L. Tomaník, P. Slavíček, J. Dzubiella, M. Kanduč, J. Heyda, "Unveiling the Borohydride Ion through Force-Field Development," J. Chem. Theory Comput. 20, 1263 (2024)
M. Kanduč, E. Schneck, R.R. Netz, "Understanding the 'Berg limit': The 65° contact angle as the universal adhesion threshold of biomatter," Phys. Chem. Chem. Phys. 26, 713 (2024)
M. Kanduč, C. Stubenrauch, R. Miller, and E Schneck, "Interface Adsorption versus Bulk Micellization of Surfactants: Insights from Molecular Simulations," J. Chem. Theory Comput. 20, 1568 (2024); Special Issue
M. Šako, F. Staniscia, E. Schneck, R.R. Netz, M. Kanduč, "Conditions for the stable adsorption of lipid monolayers to solid surfaces," PNAS Nexus, pgad190 (2023)
S. Micciulla, P. Gutfreund, M. Kanduč, and L. Chiappisi, "Pressure-Induced Phase Transitions of Nonionic Polymer Brushes," Macromolecules 56, 1177 (2023)
F. Staniscia and M. Kanduč, "Apparent line tension induced by surface-active impurities," J. Chem. Phys. 157, 184707 (2022)
C. Park, M. Kanduč, T.F. Headen, T.G.A. Youngs, J. Dzubiella, and S. Risse, “Toward unveiling structure and property relationships from ionic ordering in Li/S battery electrolytes: Neutron total scattering and molecular dynamics simulations”, Energy Stor. Mater., 52, 85 (2022)
W. K. Kim, S. Milster, R. Roa, M. Kanduč, and J. Dzubiella, "Permeability of Polymer Membranes beyond Linear Response", Macromolecules 55, 7327 (2022)
F. Staniscia, H. V. Guzman, M. Kanduč, Tuning Contact Angles of Aqueous Droplets on Hydrophilic and Hydrophobic Surfaces by Surfactants, J. Phys. Chem. B 126, 3374 (2022)
S. Poblete, A. Božič, M. Kanduč, R. Podgornik, and H. V. Guzman, RNA Secondary Structures Regulate Adsorption of Fragments onto Flat Substrates, ACS Omega 6, 32823 (2021)
M. Kanduč, W.K. Kim, R. Roa, J. Dzubiella, "Nanochannels and nanodroplets in polymer membranes controlling ionic transport", Curr Opin Colloid Interface Sci 56, 101501 (2021)
S. Carlson, M. Becker, F. N. Brünig, K. Ataka, R. Cruz, L. Yu, P. Tang, M. Kanduč, R. Haag, J. Heberle, H. Makki, and R. R. Netz, Hydrophobicity of Self-Assembled Monolayers of Alkanes: Fluorination, Density, Roughness, and Lennard-Jones Cutoffs, Langmuir 37, 13846 (2021)
Z. Li, V.G. Ruiz, M. Kanduč, J. Dzubiella, "Highly Heterogeneous Polarization and Solvation of Gold Nanoparticles in Aqueous Electrolytes", ACS Nano (2021)
S. Milster, W.K. Kim, M. Kanduč, J Dzubiella: "Tuning the permeability of regular polymeric networks by the cross-link ratio", J. Chem. Phys. 154, 154902 (2021)
A. Božič, M. Kanduč, "Relative humidity in droplet and airborne transmission of disease", J. Biol. Phys. 47, 1 (2021)
M. Kanduč, W.K. Kim, R. Roa, J. Dzubiella, "How the Shape and Chemistry of Molecular Penetrants Control Responsive Hydrogel Permeability", ACS Nano 15, 614 (2021)
M. Kanduč, E. Schneck, and C. Stubenrauch, "Intersurfactant H-bonds between head groups of n-dodecyl-β-d-maltoside at the air-water interface", J. Colloid Interface Sci. 586, 588 (2021)
A. Moncho-Jordá, A. B. Jódar-Reyes, M. Kanduč, A. Germán-Bellod, J. M. López-Romero, R. Contreras-Cáceres, F. Sarabia, M. García-Castro, H. A. Pérez-Ramírez, and G. Odriozola, "Scaling Laws in the Diffusive Release of Neutral Cargo from Hollow Hydrogel Nanoparticles: Paclitaxel-Loaded Poly (4-vinylpyridine)", ACS Nano 14, 15227 (2020)
Z. Li, V.G. Ruiz, M. Kanduč, J. Dzubiella, "Ion-Specific Adsorption on Bare Gold (Au) Nanoparticles in Aqueous Solutions: Double-Layer Structure and Surface Potentials", Langmuir 36, 13457 (2020)
J. C. Fernández-Toledano, T. D. Blake, J. De Coninck, and M. Kanduč, "Hidden microscopic life of the moving contact line of a waterlike liquid ", Phys. Rev. Fluids 5, 104004 (2020)
W. K. Kim, R. Chudoba, S. Milster, R. Roa, M. Kanduč, and J. Dzubiella, "Tuning the selective permeability of polydisperse polymer networks", Soft Matter 16, 8144 (2020)
R. Nikam, X. Xu, M. Kanduč, and J. Dzubiella, "Competitive sorption of monovalent and divalent ions by highly charged globular macromolecules", J. Chem. Phys. 153, 044904 (2020)
M. Kanduč, E. Schneck, P. Loche, S. Jansen, H. J. Schenk, and R. R. Netz, "Cavitation in lipid bilayers poses strict negative pressure stability limit in biological liquids", Proc. Natl. Acad. Sci. USA 117, 10733 (2020).
S. W Coles, C. Park, R. Nikam, M. Kanduč, J. Dzubiella, and B. Rotenberg, "Correlation Length in Concentrated Electrolytes: Insights from All-Atom Molecular Dynamics Simulations", J. Phys. Chem. B 124, 1778 (2020)
M. Kanduč, W. K. Kim, R. Roa, and J. Dzubiella, “Modeling of stimuli-responsive nanoreactors: rational rate control towards the design of colloidal enzymes", Mol. Syst. Des. Eng., (2020)
M. Kanduč, W. K. Kim, R. Roa, and J. Dzubiella, “Aqueous Nanoclusters Govern Ion Partitioning in Dense Polymer Membranes”, ACS Nano 13, 11224 (2019)
C. Park, A. Ronneburg, S. Risse, M. Ballauff, M. Kanduč, J. Dzubiella, “Structural and Transport Properties of Li/S Battery Electrolytes: Role of the Polysulfide Species”, J. Phys. Chem. C 123, 10167 (2019)
N. Dubouis, C. Park, M. Deschamps, S. Abdelghani-Idrissi, M. Kanduč, A. Colin, M. Salanne, J. Dzubiella, A. Grimaud, and B. Rotenberg, “Chasing Aqueous Biphasic Systems from Simple Salts by Exploring the LiTFSI/LiCl/H2O Phase Diagram”, ACS Cent. Sci. 5, 640 (2019).
S. Milster, R. Chudoba, M. Kanduč, and J. Dzubiella, “Cross-linker effect on solute adsorption in swollen thermoresponsive polymer networks”, Phys. Chem. Chem. Phys. 21, 6588 (2019).
W. K. Kim, R. Roa, M. Kanduč, and J. Dzubiella, “Tuning the permeability of dense membranes by shaping nanoscale potentials”, Phys. Rev. Lett. 122, 108001 (2019).
M. Kanduč, W. K. Kim, R. Roa, and J. Dzubiella, “Transfer Free Energies and Partitioning of Small Molecules in Collapsed PNIPAM Polymers”, J. Phys. Chem. B 123, 720 (2019).
M. Kanduč, L. Eixeres, S. Liese, and R. R. Netz, “Generalized line tension of water nan- odroplets”, Phys. Rev. E 98, 032804 (2018).
M. Kanduč, W. K. Kim, R. Roa, and J. Dzubiella, “Selective Molecular Transport in Thermore- sponsive Polymer Membranes: Role of Nanoscale Hydration and Fluctuations”, Macromolecules 51, 4853 (2018).
B. Petersen, R. Roa, J. Dzubiella, and M. Kanduč, “Ionic structure around polarizable metal nanoparticles in aqueous electrolytes”, Soft Matter, 14, 4053 (2018).
R. Nikam, X. Xu, M. Ballauff, M. Kanduč, and J. Dzubiella, “Charge and hydration structure of dendritic polyelectrolytes: molecular simulations of polyglycerol sulphate”, Soft Matter, 14, 4300 (2018).
C. Park, M. Kanduč, R. Chudoba, A. Ronneburg, S. Risse, M. Ballauff, and J. Dzubiella, “Molecular simulations of electrolyte structure and dynamics in lithium–sulfur battery solvents”, J. Power Sources 373, 70 (2018).
M. Kanduč, “Going beyond the standard line tension: Size-dependent contact angles of water nanodroplets”, J. Chem. Phys. 147, 174701 (2017).
W. K. Kim, A. Moncho-Jordá, R. Roa, M. Kanduč, and J. Dzubiella, “Cosolute partitioning in polymer networks: Effects of flexibility and volume transitions”, Macromolecules 50, 6227 (2017).
R. Roa, W. K. Kim, M. Kanduč, J. Dzubiella, and S. Angioletti-Uberti, “Catalyzed Bimolecular Reactions in Responsive Nanoreactors”, ACS Catal. 7, 5604 (2017).
B. Kowalik, A. Schlaich, M. Kanduč, E. Schneck, and R. R. Netz, “Hydration Repulsion Difference Between Ordered and Disordered Membranes Due to Cancellation of Membrane- Membrane and Water-Mediated Interactions”, J. Phys. Chem. Lett. 8, 14899 (2017).
M. Kanduč and R. R. Netz, “Atomistic simulations of wetting properties and water films on hydrophilic surfaces”, J. Chem. Phys. 146, 164705 (2017).
M. Kanduč, A. Schlaich, A. H. de Vries, J. Jouhet, E. Maréchal, D. Demé, R. R. Netz, and E. Schneck, “Tight Cohesion between Glycolipid Membranes Results from Balanced Water-Headgroup Interactions”, Nat. Commun. 8, 14899 (2017).
M. Kanduč, R. Chudoba, K. Palczynski, W. K. Kim, R. Roa, and J. Dzubiella, “Selective solute adsorption and partitioning around single PNIPAM chains”, Phys. Chem. Chem. Phys. 19, 5906 (2017).
M. Kanduč, M. Moazzami-Gudarzi, V. Valmacco, R. Podgornik, and G. Trefalt, “Interactions between charged particles with bathing multivalent counterions: experiments vs. dressed ion theory”, Phys. Chem. Chem. Phys. 19, 10069 (2017).
C. Yigit, M. Kanduč, M. Ballauff, and J. Dzubiella, “Interaction of Charged Patchy Protein Models with Like-Charged Polyelectrolyte Brushes”, Langmuir 33, 417 (2017).
M. Kanduč, A. Schlaich, E. Schneck, and R. R. Netz, “Water-Mediated Interactions between Hydrophilic and Hydrophobic Surfaces”, Langmuir 32, 8767 (2016).
X. Xu, M. Kanduč, J. Wu, and J. Dzubiella, “Potential of mean force and transient states in polyelectrolyte pair complexation”, J. Chem. Phys. 145, 034901 (2016).
E. Ioannidou, M. Kanduč, L. Li, D. Frenkel, J. Dobnikar, and E. Del Gado, “The crucial effect of early-stage gelation on the mechanical properties of cement hydrates”, Nat. Commun. 7, 12106 (2016).
M. Kanduč and R. R. Netz, “Hydration force fluctuations in hydrophilic planar systems”, Biointerphases 11, 019004 (2016).
A. Botan, F. Fernando, P. Fuchs, M. Javanainen, M. Kanduč, W. Kulig, A. Lamberg, C. Loison, A. Lyubartsev, M. Miettinen, L. Monticelli, J. Määttä, S. Ollila, M. Retegan, T. Róg, H. Santuz, and J. Tynkkynen, “Towards Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient Conditions”, J. Phys. Chem. B 119, 15075 (2015).
M. Kanduč and R. R. Netz, “From hydration repulsion to dry adhesion between asymmetric hydrophilic and hydrophobic surfaces”, Proc. Natl. Acad. Sci. USA 112, 12338 (2015).
A. Schlaich, B. Kowalik, M. Kanduč, E. Schneck, and R. R. Netz, “Physical mechanisms of the interaction between lipid membranes in the aqueous environment”, Physica A 418, 105 (2015).
M. Kanduč, E. Schneck, and R. R. Netz, “Attraction between hydrated hydrophilic surfaces”, Chem. Phys. Lett. 610, 375 (2014).
M. Kanduč, A. Schlaich, E. Schneck, and R. R. Netz, “Hydration repulsion between membranes and polar surfaces: Simulation approaches versus continuum theories”, Adv. Colloid Inter- face Sci. 208, 142 (2014).
A. Naji, M. Kanduč, J. Forsman, and R. Podgornik, “Perspective: Coulomb fluids – weak coupling, strong coupling, in between and beyond”, J. Chem. Phys. 139, 150901 (2013).
M. Kanduč, E. Schneck, and R. R. Netz, “Hydration Interaction between Phospholipid Membranes: Insight into Different Measurement Ensembles from Atomistic Molecular Dynamics Simulations”, Langmuir 29, 9126 (2013).
M. Kanduč, A. Naji, J. Forsman, and R. Podgornik, “Attraction between neutral dielectrics mediated by multivalent ions in an asymmetric ionic fluid”, J. Chem. Phys. 137, 174704 (2012).
M. Kanduč, A. Naji, J. Forsman, and R. Podgornik, “Dressed counterions: Polyvalent and monovalent ions at charged dielectric interfaces”, Phys. Rev. E 84, 011502 (2011).
M. Kanduč, A. Naji, and R. Podgornik, “Counterion-mediated weak and strong coupling electrostatic interaction between like-charged cylindrical dielectrics”, J. Chem. Phys. 132, 224703 (2010).
M. Kanduč, A. Naji, J. Forsman, and R. Podgornik, “Dressed Counterions: Strong Electrostatic Coupling in the Presence of Salt”, J. Chem. Phys. 132, 124701 (2010).
M. Kanduč, A. Naji, Y. S. Yho, P. A. Pincus, and R. Podgornik, “The role of multipoles in counterion-mediated interactions between charged surfaces: strong and weak coupling”, J. Phys.: Condens. Matter 21, 424103 (2009).
M. Kanduč, J. Dobnikar, and R. Podgornik, “Counterion-mediated electrostatic interactions between helical molecules”, Soft Matter 5, 868 (2009).
Y. S. Jho, M. Kanduč, A. Naji, R. Podgornik, M. W. Kim, and P. A. Pincus, “Strong-Coupling Electrostatics in the Presence of Dielectric Inhomogeneities”, Phys. Rev. Lett. 101, 188101 (2008).
M. Kanduč, M. Trulsson, A. Naji, Y. Burak, J. Forsman, and R. Podgornik, “Weak- and strong-coupling electrostatic interactions between asymmetrically charged planar surfaces”, Phys. Rev. E., 78, 061105 (2008).
M. Kanduč and R. Podgornik, “Electrostatic image effects for counterions between charged planar walls”, Eur. Phys. J. E 23, 265 (2007).
