Optimized atomistic force fields for aqueous solutions of Magnesium and Calcium Chloride: Analysis, achievements and limitations

Automated parameterization of intermolecular pair potentials using global optimization techniques

(2014) Andreas Krämer et al.   COMPUTER PHYSICS COMMUNICATIONS

Thermal conductivity, shear viscosity and specific heat of rigid water models

(2012) Yijin Mao et al.   CHEMICAL PHYSICS LETTERS

A set of molecular models for alkali and halide ions in aqueous solution

(2012) Stephan Deublein et al.   JOURNAL OF CHEMICAL PHYSICS

A comparison of the value of viscosity for several water models using Poiseuille flow in a nano-channel

(2012) A. P. Markesteijn et al.   JOURNAL OF CHEMICAL PHYSICS

A Set of Molecular Models for Alkaline-Earth Cations in Aqueous Solution

(2012) Stephan Deublein et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Liquid–liquid equilibria of dipropylene glycol dimethyl ether and water by molecular dynamics

(2011) Thorsten Köddermann et al.   FLUID PHASE EQUILIBRIA

Assessment of numerical optimization algorithms for the development of molecular models

(2010) Marco Hülsmann et al.   COMPUTER PHYSICS COMMUNICATIONS

Automated force field optimisation of small molecules using a gradient-based workflow package

(2010) Marco Hülsmann et al.   MOLECULAR SIMULATION

GROW: A gradient-based optimization workflow for the automated development of molecular models

(2009) Marco Hülsmann et al.   COMPUTER PHYSICS COMMUNICATIONS

Molecular Dynamics Simulations of the Dynamic and Energetic Properties of Alkali and Halide Ions Using Water-Model-Specific Ion Parameters

(2009) In Suk Joung et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Molecular Dynamics Study of Alkaline Earth Metal−Chloride Complexation in Aqueous Solution

(2008) James P. Larentzos et al.   JOURNAL OF PHYSICAL CHEMISTRY B