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Exabyte.io [7] - a cloud-native integrated platform for nanoscale modeling, supporting simulations at multiple scales, including Density Functional Theory and Molecular Dynamics; JCMsuite – a finite element analysis software for simulating optical properties of nanostructures; LAMMPS – Open source molecular dynamics code
MBN Explorer (MesoBioNano Explorer) is a software package for molecular dynamics simulations, structure optimization and kinetic Monte Carlo simulations. It is designed for multiscale computational analysis of structure and dynamics of atomic clusters and nanoparticles, biomolecules and nanosystems, nanostructured materials, different states of matter and various interfaces. [1]
Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry.Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods.
Nanoparticles have different analytical requirements than conventional chemicals, for which chemical composition and concentration are sufficient metrics. Nanoparticles have other physical properties that must be measured for a complete description, such as size, shape, surface properties, crystallinity, and dispersion state. Additionally ...
The use of engineered nanofibers already makes clothes water- and stain-repellent or wrinkle-free. Textiles with a nanotechnological finish can be washed less frequently and at lower temperatures. Nanotechnology has been used to integrate tiny carbon particles membrane and guarantee full-surface protection from electrostatic charges for the wearer.
TiO 2 nanoparticles have photocatalytic activity [6]: 82 [7] It is n-type semiconductor and its band gap between the valence and the conductivity bands is wider than of many other substances. The photocatalysis of TiO 2 is a complex function of the physical characteristics of the particles.
For example, CdTe (cadmium telluride) nanosheets could be synthesized by precipitating and aging CdTe nanoparticles in deionized water. [10] The formation of free-floating CdTe nanosheets was due to directional hydrophobic attraction and anisotropic electrostatic interactions caused by dipole moment and small positive charges.
A nanostructure is a structure of intermediate size between microscopic and molecular structures.Nanostructural detail is microstructure at nanoscale.. In describing nanostructures, it is necessary to differentiate between the number of dimensions in the volume of an object which are on the nanoscale.