Shiny app for monitoring the evolution of optical properties of nanoparticles throughout synthesis reactions.

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 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.

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

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.

We present the development of pyLLE, a freely accessible Lugiato-Lefever equation solver programmed in Python and Julia and optimized for the simulation of microresonator frequency combs. Examples illustrating its operation and performance are presented.

The NIST/ARPA-E Database of Novel and Emerging Adsorbent Materials is a free, web-based catalog of adsorbent materials and measured adsorption properties of numerous materials obtained from article entries from the scientific literature. Search fields for the database include adsorbent material, adsorbate gas, experimental conditions (pressure, temperature), and bibliographic information (author, title, journal), and results from queries are provided as a list of articles matching the search parameters.

SRM 1877 Beryllium Oxide Powder - This Standard Reference Material (SRM) is intended for use in laboratory analysis and health research for the development and validation of analytical methods and instruments used to determine beryllium, as well as for proficiency testing of laboratories involved in beryllium determinations. A unit of SRM 1877 consists of one bottle containing 20 g of beryllium oxide powder. This data is public in the Certificate of Analysis for this material.

This Standard Reference Material (SRM) is intended for use as a primary calibration standard for the quantitative determination of aluminum. A unit of SRM 3101a consists of five 10 mL sealed borosilicate glass ampoules of an acidified aqueous solution prepared gravimetrically to contain a known mass fraction of aluminum. The solution contains nitric acid at a volume fraction of approximately 10 %, equivalent to an amount of substance concentration (molarity) of approximately 1.6 mol/L. This data is public in the Certificate of Analysis for this material.

This Standard Reference Material (SRM) is intended for use as a primary calibration standard for the quantitative determination of antimony. A unit of SRM 3102a consists of 50 mL of an acidified aqueous solution prepared gravimetrically to contain a known mass fraction of antimony in a high-density polyethylene bottle sealed in an aluminized bag.