| Adsorption of N2, CH4, CO and CO2 gases in single walled carbon nanotubes: A combined experimental and Monte Carlo molecular simulation study GP Lithoxoos, A Labropoulos, LD Peristeras, N Kanellopoulos, J Samios, ... The Journal of Supercritical Fluids 55 (2), 510-523, 2010 | 167 | 2010 |
| Monte Carlo simulation of short chain branched polyolefins in the molten state J Ramos, LD Peristeras, DN Theodorou Macromolecules 40 (26), 9640-9650, 2007 | 103 | 2007 |
| Transport Properties of Shale Gas in Relation to Kerogen Porosity M Vasileiadis, LD Peristeras, KD Papavasileiou, IG Economou The Journal of Physical Chemistry C, 2018 | 69 | 2018 |
| Molecular Dynamics Simulation of Pure n-Alkanes and Their Mixtures at Elevated Temperatures Using Atomistic and Coarse-Grained Force Fields KD Papavasileiou, LD Peristeras, A Bick, IG Economou The Journal of Physical Chemistry B 123 (29), 6229-6243, 2019 | 67 | 2019 |
| Modeling of bulk kerogen porosity: Methods for control and characterization M Vasileiadis, LD Peristeras, KD Papavasileiou, IG Economou Energy & Fuels 31 (6), 6004-6018, 2017 | 65 | 2017 |
| Structure and volumetric properties of linear and triarm star polyethylenes from atomistic Monte Carlo simulation using new internal rearrangement moves LD Peristeras, IG Economou, DN Theodorou Macromolecules 38 (2), 386-397, 2005 | 48 | 2005 |
| Monte Carlo simulation of carbon monoxide, carbon dioxide and methane adsorption on activated carbon GP Lithoxoos, LD Peristeras, GC Boulougouris, IG Economou Molecular Physics 110 (11-12), 1153-1160, 2012 | 47 | 2012 |
| Thermophysical properties of imidazolium tricyanomethanide ionic liquids: experiments and molecular simulation LF Zubeir, MAA Rocha, N Vergadou, WMA Weggemans, LD Peristeras, ... Physical Chemistry Chemical Physics 18 (33), 23121-23138, 2016 | 42 | 2016 |
| Molecular Dynamics Simulation of Water-Based Fracturing Fluids in Kaolinite Slit Pores KD Papavasileiou, VK Michalis, LD Peristeras, M Vasileiadis, A Striolo, ... The Journal of Physical Chemistry C 122 (30), 17170-17183, 2018 | 41 | 2018 |
| Techno-economic assessment of CO2 quality effect on its storage and transport: CO2QUEST: An overview of aims, objectives and main findings RTJ Porter, H Mahgerefteh, S Brown, S Martynov, A Collard, RM Woolley, ... International Journal of Greenhouse Gas Control 54, 662-681, 2016 | 38 | 2016 |
| Scaling Laws for the Conformation and Viscosity of Ring Polymers in the Crossover Region around Me from Detailed Molecular Dynamics Simulations DG Tsalikis, PV Alatas, LD Peristeras, VG Mavrantzas ACS Macro Letters 7 (8), 916-920, 2018 | 36 | 2018 |
| Thermodynamic interpolation for the simulation of two-phase flow of non-ideal mixtures S Brown, LD Peristeras, S Martynov, RTJ Porter, H Mahgerefteh, ... Computers & Chemical Engineering 95, 49-57, 2016 | 24 | 2016 |
| Equation-of-State Modeling of Solid–Liquid–Gas Equilibrium of CO2 Binary Mixtures IK Nikolaidis, GC Boulougouris, LD Peristeras, IG Economou Industrial & Engineering Chemistry Research 55 (21), 6213-6226, 2016 | 19 | 2016 |
| Molecular Dynamics Simulation of Amorphous Poly (3-hexylthiophene) FD Tsourtou, LD Peristeras, R Apostolov, VG Mavrantzas Macromolecules 53 (18), 7810-7824, 2020 | 17 | 2020 |
| Calculation of the phase envelope of multicomponent mixtures with the bead spring method IK Nikolaidis, IG Economou, GC Boulougouris, LD Peristeras AIChE Journal 62 (3), 868-879, 2016 | 17 | 2016 |
| Molecular Simulation of n-Octacosane–Water Mixture in Titania Nanopores at Elevated Temperature and Pressure KD Papavasileiou, ZA Makrodimitri, LD Peristeras, J Chen, ... The Journal of Physical Chemistry C 120 (43), 24743-24753, 2016 | 16 | 2016 |
| Monte Carlo algorithm based on internal bridging moves for the atomistic simulation of thiophene oligomers and polymers FD Tsourtou, SD Peroukidis, LD Peristeras, VG Mavrantzas Macromolecules 51 (21), 8406-8423, 2018 | 14 | 2018 |
| Unscrambling micro-solvation of–COOH and–NH groups in neat dimethyl sulfoxide: insights from 1 H-NMR spectroscopy and computational studies PG Takis, KD Papavasileiou, LD Peristeras, GC Boulougouris, ... Physical Chemistry Chemical Physics 19 (21), 13710-13722, 2017 | 14 | 2017 |
| Probing micro-solvation in “numbers”: the case of neutral dipeptides in water PG Takis, KD Papavasileiou, LD Peristeras, VS Melissas, AN Troganis Physical Chemistry Chemical Physics 15 (19), 7354-7362, 2013 | 14 | 2013 |
| Predicting fluid phase equilibrium via histogram reweighting with Gibbs ensemble Monte Carlo simulations GC Boulougouris, LD Peristeras, IG Economou, DN Theodorou The Journal of Supercritical Fluids 55 (2), 503-509, 2010 | 10 | 2010 |
