Search Results - "LINSE, PER"
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1
Quasi-2d fluids of dipolar superballs in an external field
Published in Soft matter (01-01-2015)“…The structure of quasi-2d solutions of dipolar superballs in the fluid state has been determined by Metropolis Monte Carlos simulations in the absence and the…”
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2
MOLSIM: A modular molecular simulation software
Published in Journal of computational chemistry (15-06-2015)“…The modular software MOLSIM for all‐atom molecular and coarse‐grained simulations is presented with focus on the underlying concepts used. The software…”
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3
Topological effects on capsomer-polyion co-assembly
Published in The Journal of chemical physics (28-06-2014)“…On the basis of a T = 1 icosahedral capsid model, the capsomer-polyion co-assembly process has been investigated by molecular dynamics simulations using…”
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4
Green's function for a spherical dielectric discontinuity and its application to simulation
Published in The Journal of chemical physics (28-01-2014)“…We present rapidly convergent expressions for the Green's function of the Poisson equation for spherically symmetric systems where the dielectric constant…”
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5
Polymer Adsorption from Bulk Solution onto Planar Surfaces: Effect of Polymer Flexibility and Surface Attraction in Good Solvent
Published in Macromolecules (23-02-2010)“…Adsorption of uncharged homopolymers of various flexibilities in good solvent onto planar surfaces at various polymer−surface interaction strengths have been…”
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6
Macroion solutions in the cell model studied by field theory and Monte Carlo simulations
Published in The Journal of chemical physics (14-12-2011)“…Aqueous solutions of charged spherical macroions with variable dielectric permittivity and their associated counterions are examined within the cell model…”
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7
Effects of Counterions and Co-ions on Foam Films Stabilized by Anionic Dodecyl Sulfate
Published in The journal of physical chemistry. B (02-12-2010)“…The influence of counterions and co-ions on the stability and thickness of foam films stabilized by anionic dodecyl sulfate (DS−) has been studied in a thin…”
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8
Effective Interaction Potentials for Alkali and Alkaline Earth Metal Ions in SPC/E Water and Prediction of Mean Ion Activity Coefficients
Published in The journal of physical chemistry. B (08-06-2006)“…The potential of mean force (PMF) acting between two simple ions surrounded by SPC/E water have been determined by molecular dynamics (MD) simulations using a…”
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9
Dynamic Study of Single-Chain Adsorption and Desorption
Published in Macromolecules (26-06-2007)“…The dynamics of adsorption and desorption of uncharged homopolymers have been investigated using a coarse-grained model comprised of a bead−spring chain and a…”
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10
Monte Carlo simulation of two interpenetrating polymer networks: Structure, swelling, and mechanical properties
Published in Polymer (Guilford) (01-04-2008)“…The swelling and mechanical properties of various interpenetrating polymer networks (IPNs) were studied. Six networks made from permutations of a moderately…”
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11
Monte Carlo Simulation of Polyelectrolyte Gels: Effects of Polydispersity and Topological Defects
Published in Macromolecules (15-05-2007)“…Volumes and other structural properties of polyelectrolyte gels in equilibrium with pure water have been determined by Monte Carlo simulations. The role of…”
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12
Dynamics of Polymer Adsorption from Bulk Solution onto Planar Surfaces
Published in Macromolecules (26-05-2009)“…Polymer adsorption of uncharged homopolymers onto planar surfaces has been investigated by employing a coarse-grained bead−spring polymer model using…”
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13
Electrostatic Attraction and Phase Separation in Solutions of Like-Charged Colloidal Particles
Published in Physical review letters (15-11-1999)Get full text
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14
Dynamics of Competitive Polymer Adsorption onto Planar Surfaces in Good Solvent
Published in The journal of physical chemistry. B (25-03-2010)“…Adsorption of mixed polymer solutions in good solvent containing polymers of different chain length has been studied by applying simulation techniques on a…”
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15
Monte Carlo Simulation of Defect-Free Cross-Linked Polyelectrolyte Gels
Published in The journal of physical chemistry. B (14-08-2003)“…Model systems of cross-linked polyelectrolyte gels were investigated by means of Monte Carlo simulations. The model contained a charged defect-free…”
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16
Discontinuous Volume Transitions in Cross-Linked Polyelectrolyte Gels Induced by Short-Range Attractions and Strong Electrostatic Coupling
Published in Macromolecules (18-05-2004)“…The swelling behavior of polyelectrolyte gels with and without short-range attraction was studied at variable permittivities using Monte Carlo simulations. The…”
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17
Protein-Polyelectrolyte Cluster Formation and Redissolution: A Monte Carlo Study
Published in Journal of the American Chemical Society (12-03-2003)“…Aqueous solutions of proteins and oppositely charged polyelectrolytes were studied at different polyelectrolyte chain length, ionic strength, and…”
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18
Monte Carlo Simulations of Lysozyme Self-Association in Aqueous Solution
Published in The journal of physical chemistry. B (06-12-2001)“…The oligomerization of lysozyme in aqueous solution was investigated by Monte Carlo simulations as a function of protein concentration, pH, and electrolyte…”
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19
Monte Carlo Simulations of Polyelectrolytes at Charged Micelles. 3. Effects of Surfactant Tail Length
Published in The journal of physical chemistry. B (10-07-1997)“…The complexation of a charged micelle and an oppositely charged polyelectrolyte was studied by the use of a simple model system. The size of the micelle was…”
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20
Monte Carlo Simulations of the Hydrophobic Effect in Aqueous Electrolyte Solutions
Published in The journal of physical chemistry. B (04-05-2006)“…The hydrophobic interaction between two methane molecules in salt-free and high salt-containing aqueous solutions and the structure in such solutions have been…”
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