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RESEARCH INTERESTS

molecular modeling, monte carlo, polymers, algorithms

ABOUT/BIOGRAPHY

Dr. Loukas Peristeras holds a Diploma in Chemical Engineering from the National Technical University of Athens, Greece (1996) and a PhD in Polymer Chemistry from the University of Athens (2003). He has worked as senior research scientist in a scientific software high-tech company (Sienomics SARL) from 2006 to 2014 where he was in charge of the development of various tools integrated in the main software solution of the company. In parallel, he was responsible for the preparation and submission of research proposals for funding. He is the creator of «Amophous Builder», a software for the creation of initial configuration for molecular modeling, integrated in MAPS®commercial software and he has contributed to the development of open-source scientific projects (LAMMPS, MCCCS TOWHEE, pysimpp). His main scientific interest is the application of available schemes, their improvement and the development and new approaches for the calculation of material properties by means of molecular and thermodynamic models.

PUBLICATIONS

Mavrantzas, V.G., Peristeras, L.D. and Baig, C., Special Issue on ?Monte Carlo Simulation of Soft Matter Systems? EDITORIAL Frontiers in Physics, Volume 9, 2021 [doi]

Papavasileiou, K.D., Peristeras, L.D., Chen, J., van der Laan, G.P., Rudra, I., Kalantar, A. and Economou, I.G., Molecular dynamics simulation of the n-octacosane-water mixture confined in hydrophilic and hydrophobic mesopores: The effect of oxygenates Fluid Phase Equilibria, Volume 526, 2020 [doi]

Papavasileiou, Konstantinos D., Peristeras, Loukas D., Bick, Andreas and Economou, Ioannis G., Molecular Dynamics Simulation of Pure textitn -Alkanes and Their Mixtures at Elevated Temperatures Using Atomistic and Coarse-Grained Force Fields The Journal of Physical Chemistry B, Volume 123, Pages: 6229–6243, 2019 [doi]

Papavasileiou, K.D., Peristeras, L.D., Bick, A. and Economou, I.G., Molecular Dynamics Simulation of Pure n-Alkanes and Their Mixtures at Elevated Temperatures Using Atomistic and Coarse-Grained Force Fields Journal of Physical Chemistry B, Volume 123, Pages: 6229-6243, 2019 [doi]

Papavasileiou, Konstantinos D., Vasileiadis, Manolis, Michalis, Vasileios K., Peristeras, Loukas D. and Economou, Ioannis G., Multi-Scale Models for the Prediction of Microscopic Structure and Physical Properties of Chemical Systems Related to Natural Gas Technology Natural Gas Processing from Midstream to Downstream, John Wiley & Sons, Ltd, Pages: 463–497, 2018 [doi]

Papavasileiou, Konstantinos D., Michalis, Vasileios K., Peristeras, Loukas D., Vasileiadis, Manolis, Striolo, Alberto and Economou, Ioannis G., Molecular Dynamics Simulation of Water-Based Fracturing Fluids in Kaolinite Slit Pores The Journal of Physical Chemistry C, Volume 122, Pages: 17170–17183, 2018 [doi]

Vasileiadis, M., Peristeras, L.D., Papavasileiou, K.D. and Economou, I.G., Transport Properties of Shale Gas in Relation to Kerogen Porosity Journal of Physical Chemistry C, Volume 122, Pages: 6166-6177, 2018 [doi]

Vasileiadis, Manolis, Peristeras, Loukas D., Papavasileiou, Konstantinos D. and Economou, Ioannis G., Modeling of Bulk Kerogen Porosity: Methods for Control and Characterization Energy & Fuels, Volume 31, Pages: 6004–6018, 2017 [doi]

Takis, Panteleimon G., Papavasileiou, Konstantinos D., Peristeras, Loukas D., Boulougouris, Georgios C., Melissas, Vasilios S. and Troganis, Anastassios N., Unscrambling micro-solvation of –COOH and –NH groups in neat dimethyl sulfoxide: insights from $^{textrm{1}}$ H-NMR spectroscopy and computational studies Phys. Chem. Chem. Phys., Volume 19, Pages: 13710–13722, 2017 [doi]

Takis, P.G., Papavasileiou, K.D., Peristeras, L.D., Boulougouris, G.C., Melissas, V.S. and Troganis, A.N., Unscrambling micro-solvation of -COOH and -NH groups in neat dimethyl sulfoxide: Insights from 1H-NMR spectroscopy and computational studies Physical Chemistry Chemical Physics, Volume 19, Pages: 13710-13722, 2017 [doi]

Nikolaidis, Ilias K., Economou, Ioannis G., Boulougouris, Georgios C. and Peristeras, Loukas D., Calculation of the phase envelope of multicomponent mixtures with the bead spring method AIChE Journal, Volume 62, Pages: 868-879, 2016 [doi]

Papavasileiou, Konstantinos D., Makrodimitri, Zoi A., Peristeras, Loukas D., Chen, Jiaqi, van der Laan, Gerard P., Rudra, Indranil, Kalantar, Ahmad and Economou, Ioannis G., Molecular Simulation of textitn -Octacosane–Water Mixture in Titania Nanopores at Elevated Temperature and Pressure The Journal of Physical Chemistry C, Volume 120, Pages: 24743–24753, 2016 [doi]

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