| 1 |
Multiscale Simulations of Graphite-Capped Polyethylene Melts: Brownian Dynamics/Kinetic Monte Carlo Compared to Atomistic Calculations and Experiment
Sgouros AP, Vogiatzis GG, Megariotis G, Tzoumanekas C, Theodorou DN
Macromolecules, 52(19), 7503, 2019 |
| 2 |
Mesoscopic Simulations of Free Surfaces of Molten Polyethylene: Brownian Dynamics/Kinetic Monte Carlo Coupled with Square Gradient Theory and Compared to Atomistic Calculations and Experiment
Sgouros AP, Lakkas AT, Megariotis G, Theodorou DN
Macromolecules, 51(23), 9798, 2018 |
| 3 |
Equation of State Based Slip Spring Model for Entangled Polymer Dynamics
Vogiatzis GG, Megariotis G, Theodorou DN
Macromolecules, 50(7), 3004, 2017 |
| 4 |
Slip-Spring Model for the Linear and Nonlinear Viscoelastic Properties of Molten Polyethylene Derived from Atomistic Simulations
Sgouros AP, Megariotis G, Theodorou DN
Macromolecules, 50(11), 4524, 2017 |
| 5 |
Systematic Coarse Graining of 4-Cyano-4'-pentylbiphenyl
Megariotis G, Vyrkou A, Leygue A, Theodorou DN
Industrial & Engineering Chemistry Research, 50(2), 546, 2011 |
| 6 |
Atomistic Simulation Studies on the Dynamics and Thermodynamics of Nonpolar Molecules within the Zeolite Imidazolate Framework-8
Pantatosaki E, Pazzona FG, Megariotis G, Papadopoulos GK
Journal of Physical Chemistry B, 114(7), 2493, 2010 |
