A new equation of state for homo-polymers in dissipative particle dynamics

Using the k-d Tree Data Structure to Accelerate Monte Carlo Simulations

(2017) Qile P. Chen et al.   Journal of Chemical Theory and Computation

Multiscale Modeling of the Effects of Salt and Perfume Raw Materials on the Rheological Properties of Commercial Threadlike Micellar Solutions

(2017) Xueming Tang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Coarse-grained model of water diffusion and proton conductivity in hydrated polyelectrolyte membrane

(2016) Ming-Tsung Lee et al.   JOURNAL OF CHEMICAL PHYSICS

Toward a Standard Protocol for Micelle Simulation

(2016) Michael A. Johnston et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Parametrization of Chain Molecules in Dissipative Particle Dynamics

(2016) Ming-Tsung Lee et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Polymer-brush lubrication: a review of recent theoretical advances

(2016) T. Kreer   Soft Matter

Dissipative particle dynamics study of the water/benzene/caprolactam system in the absence or presence of non-ionic surfactants

(2015) Kaihang Shi et al.   CHEMICAL ENGINEERING SCIENCE

Liquid–liquid equilibria for soft-repulsive particles: Improved equation of state and methodology for representing molecules of different sizes and chemistry in dissipative particle dynamics

(2015) Thilanga P. Liyana-Arachchi et al.   JOURNAL OF CHEMICAL PHYSICS

Modeling Aggregation of Ionic Surfactants Using a Smeared Charge Approximation in Dissipative Particle Dynamics Simulations

(2015) Runfang Mao et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Force-Field Parameters from the SAFT-γ Equation of State for Use in Coarse-Grained Molecular Simulations

(2014) Erich A. Müller et al.   Annual Review of Chemical and Biomolecular Engineering

A generalized method for parameterization of dissipative particle dynamics for variable bead volumes

(2013) G. Kacar et al.   EPL

Screening properties of Gaussian electrolyte models, with application to dissipative particle dynamics

(2013) Patrick B. Warren et al.   JOURNAL OF CHEMICAL PHYSICS

Calculations of Critical Micelle Concentration by Dissipative Particle Dynamics Simulations: The Role of Chain Rigidity

(2013) Ming-Tsung Lee et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Prediction of the Critical Micelle Concentration of Nonionic Surfactants by Dissipative Particle Dynamics Simulations

(2013) Aleksey Vishnyakov et al.   Journal of Physical Chemistry Letters

Transferable Potentials for Phase Equilibria−Coarse-Grain Description for Linear Alkanes

(2011) Katie A. Maerzke et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Predicting human blood viscosity in silico

(2011) D. A. Fedosov et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The COSMO and COSMO-RS solvation models

(2011) Andreas Klamt   Wiley Interdisciplinary Reviews-Computational Molecular Science

COSMO-RS: An Alternative to Simulation for Calculating Thermodynamic Properties of Liquid Mixtures

(2010) Andreas Klamt et al.   Annual Review of Chemical and Biomolecular Engineering