Block copolymer self-assembly: Melt and solution by molecular density functional theory

Phase behavior and percolation in mixed patchy colloids

(2021) Yiwei Zhu et al.   JOURNAL OF CHEMICAL PHYSICS

An Efficient Algorithm for Molecular Density Functional Theory in Cylindrical Geometry: Application to Interfacial Statistical Associating Fluid Theory (iSAFT)

(2020) Shun Xi et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Density functional study of one- and two-component bottlebrush molecules in solvents of varying quality

(2020) Yuchong Zhang et al.   MOLECULAR PHYSICS

Thermodynamics, Microstructures, and Solubilization of Block Copolymer Micelles by Density Functional Theory

(2019) Shun Xi et al.   LANGMUIR

Competitive Sorption of CO2 with Gas Mixtures in Nanoporous Shale for Enhanced Gas Recovery from Density Functional Theory

(2019) Jinlu Liu et al.   LANGMUIR

Modeling micelle formation and interfacial properties with iSAFT classical density functional theory

(2017) Le Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Adsorption and Phase Behavior of Pure/Mixed Alkanes in Nanoslit Graphite Pores: An iSAFT Application

(2017) Jinlu Liu et al.   LANGMUIR

Oral and transdermal drug delivery systems: role of lipid-based lyotropic liquid crystals

(2017) Rajan Rajabalaya et al.   Drug Design Development and Therapy

Fluids density functional theory and initializing molecular dynamics simulations of block copolymers

(2016) Jonathan R. Brown et al.   JOURNAL OF CHEMICAL PHYSICS

Charged Nanoparticle Attraction in Multivalent Salt Solution: A Classical-Fluids Density Functional Theory and Molecular Dynamics Study

(2016) K. Michael Salerno et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effect of Tapering on Morphology and Interfacial Behavior of Diblock Copolymers from Molecular Dynamics Simulations

(2015) Youngmi Seo et al.   MACROMOLECULES

Gels and Lyotropic Liquid Crystals: Using an Imidazolium-Based Catanionic Surfactant in Binary Solvents

(2014) Ni Cheng et al.   LANGMUIR

Universality of Block Copolymer Melts

(2014) Jens Glaser et al.   PHYSICAL REVIEW LETTERS

Second-order resummed thermodynamic perturbation theory for central-force associating potential: Multi-patch colloidal models

(2013) Y. V. Kalyuzhnyi et al.   JOURNAL OF CHEMICAL PHYSICS

Emerging Research and Clinical Development Trends of Liposome and Lipid Nanoparticle Drug Delivery Systems

(2013) John C. Kraft et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Toward Quantitative Coarse-Grained Models of Lipids with Fluids Density Functional Theory

(2012) Laura J. Douglas Frink et al.   Journal of Chemical Theory and Computation

Revisited Block Copolymer/Nanoparticle Composites: Extension of Interfacial Statistical Associating Fluid Theory

(2012) Zhengzheng Feng et al.   MACROMOLECULES

Block copolymer based composition and morphology control in nanostructured hybrid materials for energy conversion and storage: solar cells, batteries, and fuel cells

(2010) M. Christopher Orilall et al.   CHEMICAL SOCIETY REVIEWS

AniSAFT Density Functional Theory for Associating Polyatomic Molecules

(2010) Adam Bymaster et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effect of confinement on the ordering of symmetric diblock copolymers: application of interfacial statistical associating fluid theory

(2009) Shekhar Jain et al.   MOLECULAR PHYSICS

Modified interfacial statistical associating fluid theory: Application to tethered polymer chains

(2008) Shekhar Jain et al.   JOURNAL OF CHEMICAL PHYSICS