Δημοσιεύσεις

14 results
2019
[14] Effect of pH and Molecular Length on the Structure and Dynamics of Short Poly(acrylic acid) in Dilute Solution: Detailed Molecular Dynamics Study ( and ), In The Journal of Physical Chemistry B, volume 123, . [details] [pdf] [doi]
[13] Insights into the morphology of multicomponent organic and inorganic aerosols from molecular dynamics simulations (, and ), In Atmospheric Chemistry and Physics, volume 19, . [details] [pdf] [doi]
2018
[12] Understanding the rheological behavior of polymer nanocomposites: Non-equilibrium thermodynamics modeling coupled with detailed atomistic non-equilibrium molecular dynamics simulations (, , and ), In Materials Today: Proceedings, volume 5, . [details] [pdf] [doi]
[11] 3-Arm Star Pyrene-Functional PMMAs for efficient exfoliation of Graphite in Chloroform: Fabrication of Graphene-Reinforced Fibrous Veils (, , , , , , , and ), In Nanoscale, The Royal Society of Chemistry, . [details] [pdf] [doi]
[10] Monte Carlo Algorithm Based on Internal Bridging Moves for the Atomistic Simulation of Thiophene Oligomers and Polymers (, , and ), In Macromolecules, volume 0, . [details] [pdf] [doi]
[9] Molecular Dynamics Study of an Atactic Poly(methyl methacrylate)-Carbon Nanotube Nanocomposite (, and ), In The Journal of Physical Chemistry B, American Chemical Society, . [details] [pdf] [doi]
[8] Molecular simulation of the high temperature phase behaviour of α-unsubstituted sexithiophene (, , and ), In Soft Matter, The Royal Society of Chemistry, . [details] [pdf] [doi]
[7] Pressure- and Temperature-Induced Monoclinic-to-Orthorhombic Phase Transition in Silicalite-1 (, , and ), In The Journal of Physical Chemistry C, . [details] [pdf] [doi]
[6] Mobility and settling rate of agglomerates of polydisperse nanoparticles (, , , and ), In The Journal of Chemical Physics, volume 148, . [details] [pdf] [doi]
2017
[5] Detailed Molecular Dynamics Simulation of the Structure and Self-Diffusion of Linear and Cyclic n-Alkanes in Melt and Blends (, and ), In Macromolecular Theory and Simulations, volume 26, . [details] [pdf] [doi]
[4] Microscopic Structure, Conformation, and Dynamics of Ring and Linear Poly(ethylene oxide) Melts from Detailed Atomistic Molecular Dynamics Simulations: Dependence on Chain Length and Direct Comparison with Experimental Data (, , , , , , , and ), In Macromolecules, volume 50, . [details] [pdf] [doi]
2016
[3] Microscopic Dynamics and Topology of Polymer Rings Immersed in a Host Matrix of Longer Linear Polymers: Results from a Detailed Molecular Dynamics Simulation Study and Comparison with Experimental Data (, and ), In Polymers, volume 8, . [details] [pdf] [doi]
[2] Analysis of Slow Modes in Ring Polymers: Threading of Rings Controls Long-Time Relaxation (, and ), In ACS Macro Letters, volume 5, . [details] [pdf] [doi]
[1] Transient flow of gravity-driven viscous films over substrates with rectangular topographical features (), In Microfluidics and Nanofluidics, volume 20, . [details] [pdf] [doi]