sampledoc

STREAMM (Simulation Toolkit for Renewable Energy and Advanced Materials Modeling)

Advanced materials are important for a number of cutting edge renewable energy applications. These applications include organic polymer photovoltaics, thermoelectrics and organic radical batteries to name a few. To optimize performance requires novel synthesis and device fabrication that spans a large parameter space, making it a challenge to make progress using only experimental investigation. Modeling and numerical simulation needs to be an integral part of the search for these critical materials.

The energy applications mentioned above combine a need to understand materials on a range of length and energy scales that requires a number of different kinds of simulation methodologies and codes. STREAMM is a framework of python modules that enables

  • data containers that allow transfer between quantum chemistry and molecular dynamics simulations
  • integration with analysis and visualization algorithms (both internal and third-party)
  • an object-oriented framework for extending the functionality to specific needs

Release Notes

  • v1.0.0 – August 28 2015 – Initial release
  • NREL is a National Laboratory of the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, operated by the Alliance for Sustainable Energy, LLC.
  • Licensed under the Apache License, Version 2.0

Referencing STREAMM

When referencing the STREAMM toolkit in publications, this website can be cited as:

Dr. Scott W. Sides, Dr. Travis W. Kemper, Dr. Ross E. Larsen and Dr. Peter Graf. "STREAMM (Simulation Toolkit for
Renewable Energy and Advanced Materials Modeling)," National Renewable Energy Lab, 21 Sept. 2015. <http://github.com/NREL/streamm-tools>.