Sten Sarman

TL;DR: This review comprehensively trace recent advances in understanding delicate interplay of strong and weak interactions that underpin their complex phase behaviors with a particular emphasis on understanding heterogeneous microstructures and dynamics of ILs in bulk liquids, in mixtures with cosolvents, and in interfacial regions.

TL;DR: In the last 25 years, nonequilibrium molecular dynamics (NEMD) has developed from a largely empirical molecular simulation methodology based on reproducing planar Couette flow in brute force fashion to a fully developed subfield of molecular simulation, underpinned rigorously by linear and nonlinear response theory as discussed by the authors.

TL;DR: In this article, the authors derived Green-Kubo relations for the viscosity coefficients of nematic liquid crystals from atomistic computer simulations and derived a fluctuation relation for the alignment angle between the director and the streamlines in planar Couette flow and also for the shear induced molecular angular velocity.

TL;DR: A way of applying the Evans-Cummings (EC) nonequilibrium-molecular-dynamics (NEMD) heat-flow algorithm for liquid mixtures to calculate the thermal conductivity and the Dufour coefficient of a binary Lennard-Jones mixture is developed, which provides a convincing check of the correctness of the EC algorithm.

TL;DR: An explicit formula for the chemical potential (μ) of simple fluids is derived for a whole class of integral equation theories, including the Percus-Yevick approximation and some other, more recently proposed closures as discussed by the authors.