Michalis Chalaris

TL;DR: In this paper, the molecular dynamics simulation technique was used to study the hydrogen-bonding structure of supercritical and liquid methanol in a wide range of temperature and pressure.

TL;DR: In this paper, the authors studied the temperature dependence of the hydrophobic and hydrophilic hydration properties of DMSO in water by performing a series of molecular dynamics simulations of such aqueous solutions at a concentration of 0.055 mole fraction at 298, 318 and 338 K.

TL;DR: In this paper, the authors carried out a molecular dynamics study of DMSO in water at 298 K at two different densities by simulating two different concentrations: 0.055 and 0.19 mole fraction.

TL;DR: In this article, the authors present experiences achieved during a field trial, in which unmanned aerial and ground vehicles were deployed and used in a simulated forest fire search and rescue (SaR) scenario, and a number of parameters were taken into consideration; logistics, safety plan, contingency plan, different agencies cooperation, time frames and ethical issues.

TL;DR: In this article, a new six-interaction-site OPLS computational model for liquid N,N-dimethylformamide has been derived, which can describe not only the thermodynamic and structural properties but also the dynamic (single and Debye relaxation) and the transport properties (selfdiffusion, shear viscosity) of the system with good accuracy in the entir...