| Coarse-grained and reverse-mapped united-atom simulations of long-chain atactic polystyrene melts: Structure, thermodynamic properties, chain conformation, and entanglements T Spyriouni, C Tzoumanekas, D Theodorou, F Müller-Plathe, G Milano Macromolecules 40 (10), 3876-3885, 2007 | 242 | 2007 |
| Extended statistical associating fluid theory (SAFT) equations of state for dipolar fluids EK Karakatsani, T Spyriouni, IG Economou AIChE Journal 51 (8), 2328-2342, 2005 | 150 | 2005 |
| A molecular modeling study of binary blend compatibility of polyamide 6 and poly (vinyl acetate) with different degrees of hydrolysis: an atomistic and mesoscopic approach T Spyriouni, C Vergelati Macromolecules 34 (15), 5306-5316, 2001 | 119 | 2001 |
| Thermodynamics of pharmaceuticals: Prediction of solubility in pure and mixed solvents with PC-SAFT T Spyriouni, X Krokidis, IG Economou Fluid phase equilibria 302 (1-2), 331-337, 2011 | 76 | 2011 |
| Phase equilibria of mixtures containing chain molecules predicted through a novel simulation scheme T Spyriouni, IG Economou, DN Theodorou Physical review letters 80 (20), 4466, 1998 | 66 | 1998 |
| Prediction of Sorption of CO2 in Glassy Atactic Polystyrene at Elevated Pressures Through a New Computational Scheme T Spyriouni, GC Boulougouris, DN Theodorou Macromolecules 42 (5), 1759-1769, 2009 | 65 | 2009 |
| Experimental and molecular dynamics simulation study on thermal, transport, and rheological properties of asphalt L You, T Spyriouni, Q Dai, Z You, A Khanal Construction and Building Materials 265, 120358, 2020 | 60 | 2020 |
| Thermodynamics of chain fluids from atomistic simulation: a test of the chain increment method for chemical potential T Spyriouni, IG Economou, DN Theodorou Macromolecules 30 (16), 4744-4755, 1997 | 56 | 1997 |
| Experimental and molecular modeling evaluation of the physicochemical properties of proline-based deep eutectic solvents A van den Bruinhorst, T Spyriouni, JR Hill, MC Kroon The Journal of Physical Chemistry B 122 (1), 369-379, 2018 | 49 | 2018 |
| Molecular Simulation of α-Olefins Using a New United-Atom Potential Model: Vapor− Liquid Equilibria of Pure Compounds and Mixtures T Spyriouni, IG Economou, DN Theodorou Journal of the American Chemical Society 121 (14), 3407-3413, 1999 | 43 | 1999 |
| Carbon dioxide solubilities and diffusivities in 1-alkyl-3-methylimidazolium tricyanomethanide ionic liquids: an experimental and modeling study LF Zubeir, TMJ Nijssen, T Spyriouni, J Meuldijk, JR Hill, MC Kroon Journal of Chemical & Engineering Data 61 (12), 4281-4295, 2016 | 39 | 2016 |
| Modeling of fluid phase equilibria with two thermodynamic theories: Non-random hydrogen bonding (NRHB) and statistical associating fluid theory (SAFT) I Tsivintzelis, T Spyriouni, IG Economou Fluid phase equilibria 253 (1), 19-28, 2007 | 31 | 2007 |
| Evaluation of SAFT and PC-SAFT models for the description of homo-and co-polymer solution phase equilibria T Spyriouni, IG Economou Polymer 46 (24), 10772-10781, 2005 | 27 | 2005 |
| Solubility of pharmaceuticals: A comparison between SciPharma, a PC-SAFT-based approach, and NRTL-SAC B Bouillot, T Spyriouni, S Teychené, B Biscans The European Physical Journal Special Topics 226, 913-929, 2017 | 20 | 2017 |
| Effect of oxygenation on carbon dioxide absorption and thermophysical properties of ionic liquids: experiments and modeling using electrolyte PC-SAFT LF Zubeir, T Spyriouni, D Roest, JR Hill, MC Kroon Industrial & Engineering Chemistry Research 55 (32), 8869-8882, 2016 | 17 | 2016 |
| Molecular Simulation of the Pure n-Hexadecane Vapor−Liquid Equilibria at Elevated Temperature T Spyriouni, IG Economou, DN Theodorou Macromolecules 31 (4), 1430-1431, 1998 | 12 | 1998 |
| Understanding of Structural and Surface Tension Properties of Asphalt Model Using Molecular Dynamics Simulation L You, T Spyriouni, Q Dai, Z You, JW Drelich, A Khanal Proceedings of the RILEM International Symposium on Bituminous Materials …, 2022 | 4 | 2022 |
| Influence of the Precursor Composition and Reaction Conditions on Raney-Nickel Catalytic System S Schweizer, R Chaudret, T Spyriouni, J Low, L Subramanian Foundations of Molecular Modeling and Simulation: Select Papers from FOMMS …, 2016 | 3 | 2016 |
| Tailoring Waterborne Coating Rheology with Hydrophobically Modified Ethoxylated Urethanes (HEURs): Molecular Architecture Insights Supported by CG-MD Simulations I Tzortzi, I Joundi, M Kavousanakis, T Spyriouni, A Bampouli, G Michaud, ... Industrial & Engineering Chemistry Research 63 (22), 10009-10026, 2024 | | 2024 |
| Leveraging informatics and machine learning to predict physical properties of organic compounds ME Liosi, T Spyriouni, X Krokidis, L Subramanian ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
