J. G. E. M. Fraaije

Leiden University — Netherlands

Materials Science · Physical Sciences

28h-index21.5kcitations110works0.02yr avg
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Research Topics

Block Copolymer Self-Assembly(50), Rheology and Fluid Dynamics Studies(31), Material Dynamics and Properties(21), Surfactants and Colloidal Systems(19), Polymer crystallization and properties(13)

Publications110 total

Alkane/Water Partition Coefficient Calculation Based on the Modified AM1 Method and Internal Hydrogen Bonding Sampling Using COSMO-RS
Journal of Chemical Information and Modeling·2021· 9 citedOpen Access
Calculation of Diffusion Coefficients through Coarse-Grained Simulations Using the Automated-Fragmentation-Parametrization Method and the Recovery of Wilke–Chang Statistical Correlation
Journal of Chemical Theory and Computation·2017· 20 citedOpen Access
Accuracy Test of the OPLS-AA Force Field for Calculating Free Energies of Mixing and Comparison with PAC-MAC
Journal of Chemical Theory and Computation·2017· 32 citedOpen Access
Prediction of polymer-solvent miscibility properties using the force field based quasi-chemical method PAC-MAC
Polymer·2016· 4 cited
Coarse-Grained Models for Automated Fragmentation and Parametrization of Molecular Databases
Journal of Chemical Information and Modeling·2016· 32 cited
Extensive Accuracy Test of the Force-Field-Based Quasichemical Method PAC–MAC
Journal of Chemical & Engineering Data·2016· 7 cited
Force-Field Based Quasi-Chemical Method for Rapid Evaluation of Binary Phase Diagrams
The Journal of Physical Chemistry B·2015· 9 cited
Pitch variations of self-assembled cylindrical block copolymers in lithographically defined trenches
Journal of Micro/Nanolithography MEMS and MOEMS·2014· 3 cited
Fundamental study of placement errors in directed self-assembly
Journal of Micro/Nanolithography MEMS and MOEMS·2014· 11 cited
Efficient solvent-free dissipative particle dynamics for lipid bilayers
Soft Matter·2014· 40 cited
Accelerated Surfactant Selection for EOR Using Computational Methods
SPE Enhanced Oil Recovery Conference·2013· 10 cited
Hierarchical Structuring in Block Copolymer Nanocomposites through Two Phase‐Separation Processes Operating on Different Time Scales
Advanced Functional Materials·2013· 29 citedOpen Access
Hierarchical Structuring in Block Copolymer Nanocomposites through Two Phase Separation Processes Operating on Different Time Scales
Bulletin of the American Physical Society·2013
Method of Moments for Computational Microemulsion Analysis and Prediction in Tertiary Oil Recovery
Langmuir·2013· 62 cited
Coarse-grained hybrid simulation of liposomes
Soft Matter·2013· 29 citedOpen Access
Surfactant Optimization for EOR Using Advanced Chemical Computational Methods
SPE Improved Oil Recovery Symposium·2012· 23 cited
Composite multiscale chemical informatics for formulations: challenges and solutions
Journal of Cheminformatics·2011Open Access
A Multiscale Modeling Protocol To Generate Realistic Polymer Surfaces
Macromolecules·2011· 7 cited
Phase Evolution Theory for Polymer Blends with Extreme Chemical Dispersity: Parameterization of DDFT Simulations and Application to Poly(propylene) Impact Copolymers
Macromolecular Theory and Simulations·2011· 5 cited
Stochastic quasi-Newton method: Application to minimal model for proteins
Physical Review E·2011· 1 citedOpen Access
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Frequent Co-authors

G. J. A. Sevink(20), A. V. Zvelindovsky(19), Natasha M. Maurits(11), B. A. C. van Vlimmeren(7), A. N. Morozov(5), Andriy V. Kyrylyuk(4), Jan‐Willem Handgraaf(4), Gerhard Goldbeck(3), Berk Hess(2), Henk Bekker(2), Herman J. C. Berendsen(2), Henk Huinink(2), Kunj Tandon(2), Shekhar Jain(2), Marten Buijse(2), Maurizio Fermeglia(2), Sabrina Pricl(2), Paola Posocco(2), Jan van Male(2), Paul Becherer(2)