Vagelis Harmandaris

发表

Path space force matching and relative entropy methods for coarse-graining molecular systems at transient regimes

Evangelia Kalligiannaki, Markos A. Katsoulakis, Petr Plecháč, 2018 .

Neural Network Potential Surfaces: A Comparison of two Approaches

Evangelia Kalligiannaki, Anthony Chazirakis, Vagelis Harmandaris, 2020 .

Structure Of Biomolecules Through Molecular Dynamics Simulations

Vagelis Harmandaris, Maria Arnittali, Anastassia N. Rissanou, 2019, Procedia Computer Science.

Modelling of novel polymer materials through atomistic molecular dynamics simulations

Vagelis Harmandaris, Anastassia N. Rissanou, Petra Bačová, 2018 .

Hierarchical modeling of polystyrene: From atomistic to coarse-grained simulations

Kurt Kremer, Vagelis Harmandaris, Nico F. A. van der Vegt, 2006 .

Temperature and Pressure Dependence of Polystyrene Dynamics through Molecular Dynamics Simulations and Experiments

George Floudas, Kurt Kremer, Vagelis Harmandaris, 2011 .

Atomistic Molecular Dynamics Simulation of Stress Relaxation upon Cessation of Steady-State Uniaxial Elongational Flow

Vlasis G. Mavrantzas, Vagelis Harmandaris, Doros N. Theodorou, 2000 .

Coarse-Grained Polymer Melts Based on Isolated Atomistic Chains: Simulation of Polystyrene of Different Tacticities

Kurt Kremer, Vagelis Harmandaris, Nico F. A. van der Vegt, 2009 .

The geometry of generalized force matching in coarse-graining and related information metrics

Evangelia Kalligiannaki, Markos A. Katsoulakis, Petr Plechac, 2015, 1504.02152.

Atomistic Molecular Dynamics Simulation of Polydisperse Linear Polyethylene Melts

Vlasis G. Mavrantzas, Vagelis Harmandaris, Doros N. Theodorou, 1998 .

Ethylbenzene Diffusion in Polystyrene: United Atom Atomistic/ Coarse Grained Simulations and Experiments

Kurt Kremer, Vagelis Harmandaris, Nico F. A. van der Vegt, 2007 .

Crossover from the Rouse to the Entangled Polymer Melt Regime: Signals from Long, Detailed Atomistic Molecular Dynamics Simulations, Supported by Rheological Experiments

Vlasis G. Mavrantzas, Dimitris Vlassopoulos, Martin Kröger, 2003 .

Quantitative Analysis on the Validity of a Coarse-Grained Model for Nonequilibrium Polymeric Liquids under Flow

Chunggi Baig, Vagelis Harmandaris, 2010 .

Atomistic molecular dynamics simulation of diffusion in binary liquid n-alkane mixtures

Vlasis G. Mavrantzas, Vagelis Harmandaris, Doros N. Theodorou, 2002 .

Predicting polymer dynamics at multiple length and time scales

Kurt Kremer, Vagelis Harmandaris, K. Kremer, 2009 .

Comparison between coarse-graining models for polymer systems: Two mapping schemes for polystyrene

Kurt Kremer, Dirk Reith, Vagelis Harmandaris, 2007 .

Dynamics of Polystyrene Melts through Hierarchical Multiscale Simulations

Kurt Kremer, Vagelis Harmandaris, K. Kremer, 2009 .

Detailed Atomistic Simulation of a Polymer Melt/Solid Interface: Structure, Density, and Conformation of a Thin Film of Polyethylene Melt Adsorbed on Graphite

Vlasis G. Mavrantzas, Vagelis Harmandaris, K. Daoulas, 2005 .

Temperature and Pressure Effects on Local Structure and Chain Packing in cis‐1,4‐Polybutadiene from Detailed Molecular Dynamics Simulations

Vlasis G. Mavrantzas, Georgia Tsolou, Vagelis Harmandaris, 2006 .