Additionally, we present a few of the challenges that still exist with some ideas as to future directions that may be used to overcome them.
Abstract: Thermoelectric effect enables direct conversion between thermal and electrical energy and provide an alternative route for power generation and refrigeration.
How do ionic liquids make self-assemblies at the interface, and which are the dominant forces for this process? In this review, we present the current-state-ofthe- art in terms of applying all-atom and coarse-grain molecular dynamics simulations in order to study the self-assembly process and the structure that results.Are water-anion interactions stronger than water-cation or water-water interactions?How are those interactions affected at different concentrations of ionic liquids? Lorenz Theory & Simulation of Condensed Matter Group, Department of Physics, Strand Campus, King's College London, Strand, London WC2R 2LS, UK, Abstract: Abstract: Gaining an understanding of the self-assembly of amphiphilic molecules has been a goal for experimental, theoretical and computational research in the field of soft matter for approximately a century.Abstract: Understanding the interaction of DNA molecules with hard substrates is a crucial step both for the study of DNA and for the development of new nanotechnology applications, as the adsorption on hard surfaces strongly influences the shape and properties of DNA itself.We developed a multiscale approach based on electronic structure calculations and molecular simulations, able to investigate the interaction of DNA molecules with a hard inorganic surface and to describe the adsorption configurations.