| 1 |
Dynamics and Rheology of Polymer Melts via Hierarchical Atomistic, Coarse-Grained, and Slip-Spring Simulations
Behbahani AF, Schneider L, Rissanou A, Chazirakis A, Bacova P, Jana PK, Li W, Doxastakis M, Polinska P, Burkhart C, Muller M, Harmandaris VA
Macromolecules, 54(6), 2740, 2021 |
| 2 |
Conformations and Dynamics of Polymer Chains in Cis and Trans Polybutadiene/Silica Nanocomposites through Atomistic Simulations: From the Unentangled to the Entangled Regime
Behbahani AF, Rissanou A, Kritikos G, Doxastakis M, Burkhart C, Polinska P, Harmandaris VA
Macromolecules, 53(15), 6173, 2020 |
| 3 |
Structure and Conformation of Stereoregular Poly(methyl methacrylate) Chains Adsorbed on Graphene Oxide and Reduced Graphene Oxide via Atomistic Simulations
Behbahani AF, Motlagh GH, Allaei SMV, Harmandaris VA
Macromolecules, 52(10), 3825, 2019 |
| 4 |
Structure, Dynamics, and Apparent Glass Transition of Stereoregular Poly(methyl methacrylate)/Graphene Interfaces through Atomistic Simulations
Behbahani AF, Allaei SMV, Motlagh GH, Eslami H, Harmandaris VA
Macromolecules, 51(19), 7518, 2018 |
| 5 |
Quantitative study of equilibrium and non-equilibrium polymer dynamics through systematic hierarchical coarse-graining simulations
Harmandaris VA
Korea-Australia Rheology Journal, 26(1), 15, 2014 |
| 6 |
Temperature and Pressure Dependence of Polystyrene Dynamics through Molecular Dynamics Simulations and Experiments
Harmandaris VA, Floudas G, Kremer K
Macromolecules, 44(2), 393, 2011 |
| 7 |
Quantitative Analysis on the Validity of a Coarse-Grained Model for Nonequilibrium Polymeric Liquids under Flow
Baig CG, Harmandaris VA
Macromolecules, 43(7), 3156, 2010 |
| 8 |
Structural Properties of Atactic Polystyrene of Different Thermal History Obtained from a Multiscale Simulation
Mulder T, Harmandaris VA, Lyuin AV, van der Vegt NFA, Kremer K, Michels MAJ
Macromolecules, 42(1), 384, 2009 |
| 9 |
Dynamics of Polystyrene Melts through Hierarchical Multiscale Simulations
Harmandaris VA, Kremer K
Macromolecules, 42(3), 791, 2009 |
| 10 |
Coarse-Grained Polymer Melts Based on Isolated Atomistic Chains: Simulation of Polystyrene of Different Tacticities
Fritz D, Harmandaris VA, Kremer K, van der Vegt NFA
Macromolecules, 42(19), 7579, 2009 |
