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.

Hestia Project quantifies, simulates and visualizes greenhouse gases such as carbon dioxide emitted in urban regions. Los Angeles basin activity is provided at the 1 km grid spatial resolution, and at temporal resolutions of hourly or annually. Hestia-LA urban CO2 emissions inventory builds upon work conducted at the national scale (Vulcan Project) that includes various sectorial attributions. Hestia's high spatial and temporal resolution datasets are currently available for 2010 to 2015, in UTC or local time.

Hestia Fossil Fuel Carbon Dioxide Emissions Inventory for Urban Regions (Hestia FFCO2) provides data products for Los Angeles Basin, Northeast corridor, Indianapolis, and other U.S. Cities. Hestia FFCO2 datasets quantify greenhouse gases (GHG), such as carbon dioxide, emitted by urban regions, since cities are major contributors of anthropogenic GHG emissions. The Hestia FFCO2 datasets provide high spatial and temporal resolution CO2 concentrations at sub-county resolutions and annual/hourly time scales, specific to the region.

Hestia Project quantifies, simulates and visualizes greenhouse gases such as carbon dioxide emitted in urban regions. Indianapolis data is provided at the county level (200 m grid resolution), and at hourly and yearly time frames. It builds upon work conducted at the national scale by the Vulcan Project. These high spatial and temporal resolution datasets are available from 2010 to 2015.

Hestia Project quantifies, simulates and visualizes greenhouse gases such as carbon dioxide emitted in urban regions. Baltimore, Maryland activity is provided at the county level (200 m grid resolution), and at hourly and yearly time frames. It builds upon work conducted at the national scale by the Vulcan Project. These high spatial and temporal resolution datasets are available from 2010.

Hestia Project quantifies, simulates and visualizes greenhouse gases such as carbon dioxide emitted in urban regions. Salt Lake City, Utah activity is provided at the county level (0.002 degree grid resolution), and at hourly and yearly time frames. It builds upon work conducted at the national scale by the Vulcan Project. These high spatial and temporal resolution datasets are available for 2002, 2010, 2011, and 2012.

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.