SAFT-γforce field for the simulation of molecular fluids: 3. Coarse-grained models of benzene and hetero-group models ofn-decylbenzene

Simultaneous prediction of vapour–liquid and liquid–liquid equilibria (VLE and LLE) of aqueous mixtures with the SAFT-γ group contribution approach

(2011) Vasileios Papaioannou et al.   FLUID PHASE EQUILIBRIA

SAFT-γ Force Field for the Simulation of Molecular Fluids. 1. A Single-Site Coarse Grained Model of Carbon Dioxide

(2011) Carlos Avendaño et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Determining Force Field Parameters Using a Physically Based Equation of State

(2011) Thijs van Westen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

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

Comparison of United-Atom Potentials for the Simulation of Vapor–Liquid Equilibria and Interfacial Properties of Long-Chainn-Alkanes up ton-C100

(2011) Erich A. Müller et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Modeling of Matter: Impact and Prospects in Engineering

(2010) Keith E. Gubbins et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Coarse-Grained Potential Models for Phenyl-Based Molecules: I. Parametrization Using Experimental Data

(2010) Russell DeVane et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?

(2009) Han Wang et al.   EUROPEAN PHYSICAL JOURNAL E

Multiscale simulation of soft matter systems

(2009) Christine Peter et al.   FARADAY DISCUSSIONS

Interfacial properties of selected binary mixtures containing n-alkanes

(2009) Erich A. Müller et al.   FLUID PHASE EQUILIBRIA

Predicting the Phase Behavior of Polymer Systems with the GC-SAFT-VR Approach

(2009) Yun Peng et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Transferable Coarse Grain Nonbonded Interaction Model for Amino Acids

(2009) Russell DeVane et al.   Journal of Chemical Theory and Computation

Coarse-grained modeling of soft condensed matter

(2009)   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Multiscale simulation of soft matter systems – from the atomistic to the coarse-grained level and back

(2009) Christine Peter et al.   Soft Matter

A generalisation of the SAFT- group contribution method for groups comprising multiple spherical segments

(2008) Alexandros Lymperiadis et al.   FLUID PHASE EQUILIBRIA

Developing a predictive group-contribution-based SAFT-VR equation of state

(2008) Yun Peng et al.   FLUID PHASE EQUILIBRIA

Recent Advances and Applications of Statistical Associating Fluid Theory

(2008) Sugata P. Tan et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Determination of the melting point of hard spheres from direct coexistence simulation methods

(2008) Eva G. Noya et al.   JOURNAL OF CHEMICAL PHYSICS

The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models

(2008) W. G. Noid et al.   JOURNAL OF CHEMICAL PHYSICS