Complex (dusty) plasmas are composed of a weakly ionized gas and charged microparticles
and represent the plasma state of soft matter. Complex plasmas have several remarkable …

Molecular dynamics simulations have become a standard tool for the investigation of
biomolecules. Simulations are performed of ever bigger systems using more realistic …

The discovery of new materials for separating ethylene from ethane by adsorption, instead of
using cryogenic distillation, is a key milestone for molecular separations because of the …

Nature has evolved strategies to encode information within a single biopolymer to program
biomolecular interactions with characteristic stoichiometry, orthogonality and …

For a number of years, we have been exploring the underpinnings of algorithms for
simulating molecular dynamics from a mathematics perspective, ie as outsiders. We have …

A membrane with both high ion conductivity and selectivity is critical to high power density
and low-cost flow batteries, which are of great importance for the wide application of …

NAMD is a parallel molecular dynamics code designed for high‐performance simulation of
large biomolecular systems. NAMD scales to hundreds of processors on high‐end parallel …

Molecular simulations, when they are used to understand properties characterizing the
mechanical strength of solid materials, such as stress-strain relation or Born stability …

The constant-pressure, constant-temperature (NPT) molecular dynamics approach is re-
examined from the viewpoint of deriving a new measure-preserving reversible geometric …

Many fundamental issues in classical condensed matter physics can be addressed
experimentally using systems of individually visible mesoscopic particles playing the role of …