Polymer Reference Interaction Site Model (PRISM) theory describes the equilibrium spatial-correlations of liquid-like polymer systems including melts, blends, solutions, block copolymers, ionomers, liquid crystal forming polymers and nanocomposites. Using PRISM theory, one can calculate thermodynamic (e.g., second virial coefficients, Flory-Huggins interaction parameters, potentials of mean force) and structural (eg., pair correlation functions, structure factors) information for these macromolecular materials.

Source of the Refl1d program for modeling and analyzing neutron and X-ray reflectometry data, with the addition of distributed roughness capability.

The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and particle-based simulations with flat-histogram Monte Carlo and molecular dynamics methods. It is a software written in C++ and python which is made publicly available to aid in reproducibility. It is also provided as a service to the scientific community in which there are few , if any, Monte Carlo programs that support flat histogram methods and advanced sampling algorithms. This software is expected to be updated frequently with new methods.

JARVIS (Joint Automated Repository for Various Integrated Simulations) is a repository designed to automate materials discovery using classical force-field, density functional theory, machine learning calculations and experiments.

The Force-field section of JARVIS (JARVIS-FF) consists of thousands of automated LAMMPS based force-field calculations on DFT geometries. Some of the properties included in JARVIS-FF are energetics, elastic constants, surface energies, defect formations energies and phonon frequencies of materials.

The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of gas-phase molecules. The goals are to provide a benchmark set of experimental data for the evaluation of ab initio computational methods and allow the comparison between different ab initio computational methods for the prediction of gas-phase thermochemical properties. The data files linked to this record are a subset of the experimental data present in the CCCBDB.

This API is designed to find the rankings by geography within the state for a specific metric (population or household) and rank (any of the metrics from provider, demographic, technology or speed). The results are the top ten and bottom ten records within the state for the particular geography type and my area rankings. Additionally we include +/- 5 rankings from the 'my' area rank.

This API is designed to find the rankings by any geography ID within the nation with a specific census metric (population or household) and ranking metric (any of the metrics from provider, demographic, technology or speed). The results are the top ten and bottom ten rankings within the nation for the particular geography type and my area rankings include +/- 5 rankings from the my area rank.

This API is designed to find the rankings by any geography type within the state with a specific census metric (population or household) and ranking metric (any of the metrics from provider, demographic, technology or speed). Only the top ten and bottom ten rankings would be returned through the API if the result set is greater than 500; otherwise full ranking list be returned.

The Broadband Provider API searches for all providers with a specified name.

This API returns the geographies specified by a geography name (e.g., Washington) of a specific geography type (e.g., congressional district) within the entire United States.