Simulations of molecules have recently been performed directly on a blockchain virtual computer at atomic resolution. This tutorial review covers the current applications technology for molecular modeling in physics, chemistry, and biology, provides step-by-step computational scientists looking to use computers simulate physical scientific processes general. carbon monoxide carried out using dy...

The various methods that comprise the field of molecular modeling are reviewed in the context of their potential for application to the molecular level design of new fire retardants and suppressants. The capabilities of these techniques are demonstrated by performing calculations on systems ranging in molecular complexity from small gas phase molecules to polymers. As a consequence of its funda...

Synthetic DNA is a highly programmable nanoscale material that can be designed to self-assemble into 3D structures that are fully determined by underlying Watson-Crick base pairing. The double crossover (DX) design motif has demonstrated versatility in synthesizing arbitrary DNA nanoparticles on the 5-100 nm scale for diverse applications in biotechnology. Prior computational investigations of ...