In this Chapter we introduce the description of single and pair particle static properties of liquid crystals, and discuss their calculation from computer simulations. We also briefly describe the calculation of dynamic properties from molecular dynamics simulations using Linear Response theory. 1. Single particle properties We consider a system of N molecules at certain specified thermodynamic...

We provide an overview of some current developments on code-related properties of DNA languages. A DNA language is a set of words, each of which is made up of the letters A, C, G, T. Such a word is meant to represent a physical DNA strand. A collection of DNA strands can be stored in-vitro and, either serve the purpose of a database, or undergo a sequence of controlled hio-operations that would...

We present the results of molecular dynamics simulations of the extended simple point charge model of water to investigate the thermodynamic and dynamic properties of stretched and supercooled water. We locate the liquid–gas spinodal, and confirm that the spinodal pressure increases monotonically with T, supporting thermodynamic scenarios for the phase behavior of supercooled water involving a ...