Projects/Programs

Displaying 1 - 3 of 3

Space filling models of bent and straight alkyl chains tethered to silica that represent disordered and ordered models.

Fundamental Studies of the Conformational Phase Behavior of Chain Molecules at Interfaces

Completed

Intended Impact Predicting how the conformational phase behavior of tethered chain molecules depends on external variables is challenging. Understanding how even simple models for tethered chain molecules depend on external variables will greatly aid our understanding of tethered chain systems...

Conceptual Art of Gas Molecules Adsorbed in a Zeolite Adsorbent

NIST Data Resources for Adsorption

Ongoing

NIST/ARPA-e Database of Novel and Emerging Adsorbent Materials A centralized resource for the scientific community to find and compare single- and multi-component adsorption isotherms reported in the literature. The database sorts data according to adsorbent material, adsorbate species...

Evolution of Flat-histogram Monte Carlo Simulation

NIST Standard Reference Simulation Website

Ongoing

Molecular simulations, in particular Monte Carlo Molecular Simulation and Molecular Dynamics Simulation, are methods for computing the properties of some kind of system, for which the intermolecular interactions are specified via mathematical relationships derived from statistical mechanics. Since...

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Data Center and Business Group

Projects/Programs