Self-assembly of coarse-grained ionic surfactants accelerated by graphics processing units

Premicelles and monomer exchange in aqueous surfactant solutions above and below the critical micelle concentration

(2011) David N. LeBard et al.   CHEMICAL PHYSICS LETTERS

Micellization Studied by GPU-Accelerated Coarse-Grained Molecular Dynamics

(2011) Benjamin G. Levine et al.   Journal of Chemical Theory and Computation

Implicit-Solvent Models for Micellization: Nonionic Surfactants and Temperature-Dependent Properties

(2011) Arben Jusufi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Simulations of Micellization of Sodium Hexyl Sulfate

(2011) M. Sammalkorpi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Coarse-grained force field for ionic surfactants

(2011) Wataru Shinoda et al.   Soft Matter

Paramaterization of a coarse-grained model for linear alkylbenzene sulfonate surfactants and molecular dynamics studies of their self-assembly in aqueous solution

(2010) Xibing He et al.   CHEMICAL PHYSICS LETTERS

Implementing molecular dynamics on hybrid high performance computers – short range forces

(2010) W. Michael Brown et al.   COMPUTER PHYSICS COMMUNICATIONS

Micellization behavior of coarse grained surfactant models

(2010) Samantha A. Sanders et al.   JOURNAL OF CHEMICAL PHYSICS

Zwitterionic Lipid Assemblies: Molecular Dynamics Studies of Monolayers, Bilayers, and Vesicles Using a New Coarse Grain Force Field

(2010) Wataru Shinoda et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Self-Assembly of Janus Dendrimers into Uniform Dendrimersomes and Other Complex Architectures

(2010) V. Percec et al.   SCIENCE

Molecular dynamics simulation of amphiphilic molecules in solution: Micelle formation and dynamic coexistence

(2009) Susumu Fujiwara et al.   JOURNAL OF CHEMICAL PHYSICS

Electrostatic Screening and Charge Correlation Effects in Micellization of Ionic Surfactants

(2009) Arben Jusufi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Ionic Surfactant Aggregates in Saline Solutions: Sodium Dodecyl Sulfate (SDS) in the Presence of Excess Sodium Chloride (NaCl) or Calcium Chloride (CaCl2)

(2009) Maria Sammalkorpi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

General purpose molecular dynamics simulations fully implemented on graphics processing units

(2008) Joshua A. Anderson et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Molecular Dynamics Simulation and Thermodynamic Modeling of the Self-Assembly of the Triterpenoids Asiatic Acid and Madecassic Acid in Aqueous Solution

(2008) Brian C. Stephenson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Implicit Solvent Models for Micellization of Ionic Surfactants

(2008) Arben Jusufi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Micelle Fission through Surface Instability and Formation of an Interdigitating Stalk

(2008) Maria Sammalkorpi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Large-Scale Molecular Dynamics Simulations of Self-Assembling Systems

(2008) M. L. Klein et al.   SCIENCE

Coarse-grained molecular modeling of non-ionic surfactant self-assembly

(2008) Wataru Shinoda et al.   Soft Matter