Loukas D. Peristeras
Agia Paraskevi, ESYE14 15310, Greece
Last Updated: 09/26/2026
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Found 13 publications
Inclusion Complexation of Native and Functionalized α-, β-, and γ-Cyclodextrins with PFAS: An Experimental and Molecular Simulation Study.
Journal: The journal of physical chemistry. B
Published: May 01, 2026
Kinetic rate of methane hydrate film growth from microsecond molecular dynamics simulations.
Journal: The Journal of chemical physics
Published: August 27, 2025
Multi-scale study of cobalt adsorption on TiO2 anatase (101): From DFT to force-field parameterization.
Journal: The Journal of chemical physics
Published: May 28, 2025
A systematic DFT study of structure and electronic properties of titanium dioxide.
Journal: Journal of computational chemistry
Published: January 28, 2024
Statistical Inference of Rate Constants in Chemical and Biochemical Reaction Networks Using an "Inverse" Event-Driven Kinetic Monte Carlo Method.
Journal: The journal of physical chemistry. B
Published: October 12, 2023
Prediction of Adsorption and Diffusion of Shale Gas in Composite Pores Consisting of Kaolinite and Kerogen using Molecular Simulation.
Journal: The journal of physical chemistry. C, Nanomaterials and interfaces
Published: January 22, 2023
The phase behaviour of cetyltrimethylammonium chloride surfactant aqueous solutions at high concentrations: an all-atom molecular dynamics simulation study.
Journal: Soft matter
Published: January 25, 2022
Molecular Dynamics Simulation of Pure n-Alkanes and Their Mixtures at Elevated Temperatures Using Atomistic and Coarse-Grained Force Fields.
Journal: The journal of physical chemistry. B
Published: June 29, 2019
Scaling Laws for the Conformation and Viscosity of Ring Polymers in the Crossover Region around Me from Detailed Molecular Dynamics Simulations.
Journal: ACS macro letters
Published: August 21, 2018
Unscrambling micro-solvation of -COOH and -NH groups in neat dimethyl sulfoxide: insights from 1H-NMR spectroscopy and computational studies.
Journal: Physical chemistry chemical physics : PCCP
Published: May 13, 2017
Thermophysical properties of imidazolium tricyanomethanide ionic liquids: experiments and molecular simulation.
Journal: Physical chemistry chemical physics : PCCP
Published: August 06, 2016
Elucidation of the binding mechanism of renin using a wide array of computational techniques and biological assays.
Journal: Journal of molecular graphics & modelling
Published: April 09, 2015
Last Updated: 09/26/2026