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Scission Free Energies for Wormlike Surfactant Micelles: Development of a Simulation Protocol, Application, and Validation for Personal Care Formulations

Langmuir, 2018-01, Vol.34 (4), p.1564-1573

2018

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Salt- and pH-Dependent Viscosity of SDS/LAPB Solutions: Experiments and a Semiempirical Thermodynamic Model

Langmuir, 2021-07, Vol.37 (29), p.8714-8725

2021

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

The journal of physical chemistry. B, 2017-03, Vol.121 (11), p.2468-2485

2017

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

The Journal of chemical physics, 2019-03, Vol.150 (12), p.124104-124104

2019

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Toward a robust and general molecular simulation method for computing solid-liquid coexistence

The Journal of chemical physics, 2005-01, Vol.122 (1), p.14115-14115

2005

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Accurate Modeling of Ionic Surfactants at High Concentration

The journal of physical chemistry. B, 2015-05, Vol.119 (20), p.6217-6224

2015

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Probing Additive Loading in the Lamellar Phase of a Nonionic Surfactant: Gibbs Ensemble Monte Carlo Simulations Using the SDK Force Field

Langmuir, 2018-07, Vol.34 (28), p.8245-8254

2018

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Atomistic simulation of solid-liquid coexistence for molecular systems: Application to triazole and benzene

The Journal of chemical physics, 2006-04, Vol.124 (16), p.164503-164503-12

2006

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Comment on “Phase Behavior of Ternary Mixtures of Water–Vanillin–Ethanol for Vanillin Extraction via Dissipative Particle Dynamics”

Journal of chemical and engineering data, 2015-11, Vol.60 (11), p.3437-3438

2015

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Predicting melting points of quaternary ammonium ionic liquids

Green chemistry : an international journal and green chemistry resource : GC, 2003-01, Vol.5 (3), p.323-328

2003

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Predicting proton titration in cationic micelle and bilayer environments

The Journal of chemical physics, 2014-08, Vol.141 (8), p.084714-084714

2014

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Predicting Infinite-Dilution Activity Coefficients of Organic Solutes in Ionic Liquids

Industrial & engineering chemistry research, 2004-02, Vol.43 (4), p.1039-1048

2004

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Titelbild: Small‐Molecular‐Weight Additives Modulate Calcification by Interacting with Prenucleation Clusters on the Molecular Level

Angewandte Chemie, 2022-10, Vol.134 (40)

2022

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Small‐Molecular‐Weight Additives Modulate Calcification by Interacting with Prenucleation Clusters on the Molecular Level

Angewandte Chemie International Edition, 2022-10, Vol.61 (40), p.e202208475-n/a

International ed. in English, 2022

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Cover Picture: Small‐Molecular‐Weight Additives Modulate Calcification by Interacting with Prenucleation Clusters on the Molecular Level (Angew. Chem. Int. Ed. 40/2022)

Angewandte Chemie International Edition, 2022-10, Vol.61 (40), p.n/a

2022

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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

The Journal of chemical physics, 2015-01, Vol.142 (4), p.044902-044902

2015

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Predicting melting points of quaternary ammonium ionic liquidsElectronic supplementary information (ESI) available: training sets B and C. See http://www.rsc.org/suppdata/gc/b3/b301217d

Green chemistry : an international journal and green chemistry resource : GC, 2003, Vol.5 (3), p.323

2003

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All Atom Molecular Dynamics Simulations of pH Dependent Surfactants

Biophysical journal, 2013-01, Vol.104 (2), p.664a-664a

2013

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Titelbild: Small‐Molecular‐Weight Additives Modulate Calcification by Interacting with Prenucleation Clusters on the Molecular Level (Angew. Chem. 40/2022)

Angewandte Chemie, 2022-10, Vol.134 (40), p.n/a

2022

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Modeling the Vapor–Liquid Equilibria of Ionic Liquids Containing Perfume Raw Materials

Journal of chemical and engineering data, 2017-09, Vol.62 (9), p.2787-2798

2017

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Small‐Molecular‐Weight Additives Modulate Calcification by Interacting with Prenucleation Clusters on the Molecular Level

Angewandte Chemie, 2022-10, Vol.134 (40), p.n/a

2022

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Property prediction of novel compounds using statistical analysis and molecular simulation

Eike, David Michael

2006

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Molecular Modeling of Formulated Consumer Products

Process Systems Engineering, 2010, p.195-206

2010

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Knowledge Acquisition and Representation for the Systems Test and Operations Language (STOL) Intelligent Tutoring System (ITS)

Proceedings of the Human Factors and Ergonomics Society Annual Meeting, 1990-10, Vol.34 (18), p.1323-1327

1990

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The Army Manprint Idea: (Integrated Decision/Engineering Aid)

Proceedings of the Human Factors and Ergonomics Society Annual Meeting, 1990-10, Vol.34 (16), p.1113-1116

1990

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Scission Free Energies for Wormlike Surfactant Micelles: Development of a Simulation Protocol, Application, and Validation for Personal Care Formulations

Salt- and pH-Dependent Viscosity of SDS/LAPB Solutions: Experiments and a Semiempirical Thermodynamic Model

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

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

Toward a robust and general molecular simulation method for computing solid-liquid coexistence

Accurate Modeling of Ionic Surfactants at High Concentration

Probing Additive Loading in the Lamellar Phase of a Nonionic Surfactant: Gibbs Ensemble Monte Carlo Simulations Using the SDK Force Field

Atomistic simulation of solid-liquid coexistence for molecular systems: Application to triazole and benzene

Comment on “Phase Behavior of Ternary Mixtures of Water–Vanillin–Ethanol for Vanillin Extraction via Dissipative Particle Dynamics”

Predicting melting points of quaternary ammonium ionic liquids

Predicting proton titration in cationic micelle and bilayer environments

Predicting Infinite-Dilution Activity Coefficients of Organic Solutes in Ionic Liquids

Titelbild: Small‐Molecular‐Weight Additives Modulate Calcification by Interacting with Prenucleation Clusters on the Molecular Level

Small‐Molecular‐Weight Additives Modulate Calcification by Interacting with Prenucleation Clusters on the Molecular Level

Cover Picture: Small‐Molecular‐Weight Additives Modulate Calcification by Interacting with Prenucleation Clusters on the Molecular Level (Angew. Chem. Int. Ed. 40/2022)

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

Predicting melting points of quaternary ammonium ionic liquidsElectronic supplementary information (ESI) available: training sets B and C. See http://www.rsc.org/suppdata/gc/b3/b301217d

All Atom Molecular Dynamics Simulations of pH Dependent Surfactants

Titelbild: Small‐Molecular‐Weight Additives Modulate Calcification by Interacting with Prenucleation Clusters on the Molecular Level (Angew. Chem. 40/2022)

Modeling the Vapor–Liquid Equilibria of Ionic Liquids Containing Perfume Raw Materials

Small‐Molecular‐Weight Additives Modulate Calcification by Interacting with Prenucleation Clusters on the Molecular Level

Property prediction of novel compounds using statistical analysis and molecular simulation

Molecular Modeling of Formulated Consumer Products

Knowledge Acquisition and Representation for the Systems Test and Operations Language (STOL) Intelligent Tutoring System (ITS)

The Army Manprint Idea: (Integrated Decision/Engineering Aid)

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