Coarse-grained molecular dynamics simulations of poly(ethylene terephthalate)

Gaussian charge distributions for incorporation of electrostatic interactions in dissipative particle dynamics: Application to self-assembly of surfactants

(2019) Hossein Eslami et al.   Journal of Chemical Theory and Computation

A coarse-grain model for entangled polyethylene melts and polyethylene crystallization

(2019) Kyle Wm. Hall et al.   JOURNAL OF CHEMICAL PHYSICS

Solid–Liquid and Solid–Solid Phase Diagrams of Self-Assembled Triblock Janus Nanoparticles from Solution

(2018) Hossein Eslami et al.   Journal of Physical Chemistry C

Self-Assembly Mechanisms of Triblock Janus Particles

(2018) Hossein Eslami et al.   Journal of Chemical Theory and Computation

A Local Order Parameter-Based Method for Simulation of Free Energy Barriers in Crystal Nucleation

(2017) Hossein Eslami et al.   Journal of Chemical Theory and Computation

Adaptive-numerical-bias metadynamics

(2017) Neda Khanjari et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Ion-Pairing and Electrical Conductivity in the Ionic Liquid 1-n-Butyl-3-methylimidazolium Methylsulfate [Bmim][MeSO4]: Molecular Dynamics Simulation Study

(2017) Azam Afandak et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Static and dynamic properties of large polymer melts in equilibrium

(2016) Hsiao-Ping Hsu et al.   JOURNAL OF CHEMICAL PHYSICS

Segmental Mean Square Displacement: Field-Cycling 1H Relaxometry vs Neutron Scattering

(2016) M. Hofmann et al.   MACROMOLECULES

Physicochemical modifications accompanying UV laser induced surface structures on poly(ethylene terephthalate) and their effect on adhesion of mesenchymal cells

(2014) Esther Rebollar et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Perspective: The glass transition

(2013) Giulio Biroli et al.   JOURNAL OF CHEMICAL PHYSICS

Interfacial Free Volume and Vitrification: Reduction in Tg in Proximity of an Adsorbing Interface Explained by the Free Volume Holes Diffusion Model

(2013) Simone Napolitano et al.   MACROMOLECULES

Dielectric relaxation of poly (trimethylene terephthalate) in a broad range of crystallinity

(2013) Ignacio Martín-Fabiani et al.   POLYMER

Chemically transferable coarse-grained potentials from conditional reversible work calculations

(2012) E. Brini et al.   JOURNAL OF CHEMICAL PHYSICS

Protracted Crossover to Reptation Dynamics: A Field Cycling 1H NMR Study Including Extremely Low Frequencies

(2012) A. Herrmann et al.   MACROMOLECULES

On melting dynamics and the glass transition. I. Glassy aspects of melting dynamics

(2011) Florent Krzakala et al.   JOURNAL OF CHEMICAL PHYSICS

Coarse-Grained Computer Simulation of Nanoconfined Polyamide-6,6

(2011) Hossein Eslami et al.   MACROMOLECULES

EUV micropatterning for biocompatibility control of PET

(2010) B. Reisinger et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Coarse-Grained Molecular Dynamics Simulation of Polyethylene Terephthalate (PET)

(2010) Qifei Wang et al.   MACROMOLECULES

Theoretically informed coarse grain simulations of polymeric systems

(2009) Darin Q. Pike et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Dynamics Simulation of Poly(ethylene terephthalate) Oligomers

(2009) Qifei Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structure and Mobility of Poly(ethylene terephthalate): A Molecular Dynamics Simulation Study

(2009) Hossein Eslami et al.   MACROMOLECULES