Orestis Alexiadis

All-Atom Molecular Dynamics Simulation of Temperature Effects on the Structural, Thermodynamic, and Packing Properties of the Pure Amorphous and Pure Crystalline Phases of Regioregular P3HT

Orestis Alexiadis, Vlasis G. Mavrantzas · Macromolecules · 2013 · 91 citations · Full text

Natural Sciences, Materials Science, Physics +17

Atomistic Simulation of Alkanethiol Self-Assembled Monolayers on Different Metal Surfaces via a Quantum, First-Principles Parametrization of the Sulfur−Metal Interaction

Orestis Alexiadis, Vagelis Harmandaris, Vlasis G. Mavrantzas et al. · The Journal of Physical Chemistry C · 2007 · 51 citations

Natural Sciences, Chemistry, Physics +17

End-Bridging Monte Carlo Simulation of Bulk and Grafted Amorphous Polyethylene Above and Below the Glass Transition

Orestis Alexiadis, Vlasis G. Mavrantzas, Rajesh Khare et al. · Macromolecules · 2008 · 39 citations

Natural Sciences, Materials Engineering, Materials Science +17

Advanced Monte Carlo Algorithm for the Atomistic Simulation of Short- and Long-Chain Branched Polymers: Implementation for Model H-Shaped, A₃<b>A</b>A₃ Multiarm (Pom-Pom), and Short-Chain Branched Polyethylene Melts

Chunggi Baig, Orestis Alexiadis, Vlasis G. Mavrantzas · Macromolecules · 2009 · 30 citations

Natural Sciences, Chemistry, Materials Science +17

An Efficient Monte Carlo Algorithm for the Fast Equilibration and Atomistic Simulation of Alkanethiol Self-Assembled Monolayers on a Au(111) Substrate

Orestis Alexiadis, Kostas Ch. Daoulas, Vlasis G. Mavrantzas · The Journal of Physical Chemistry B · 2008 · 19 citations

Natural Sciences, Chemistry, Physics +17