science by simulation

We are building a suite of tools for modern science education based on modeling and simulation technology and assisted by unique databases. Here are the tools that are currently available:


ChemReaX™ is a web app for modeling and simulating basic chemical reactions. The software is intended for chemistry students and their teachers at the undergraduate and high school (AP) levels. It supplements classroom learning, laboratory experiments and textbooks. It utilizes sophisticated simulation techniques under the hood to open up an exciting new dimension in the learning and teaching of science. ChemReaX can be used to explore a nearly unlimited variety of chemical reactions and perform what-if experiments with reactions. It can be accessed for free.


  • Provides the largest free online database of chemical thermodynamic properties as a function of temperature.

  • Allows users to construct a virtually unlimited variety of chemical reactions using the 1200+ species in the internal database, and automatically verifies the validity of the equations.

  • Actually simulates a given reaction from the initial conditions until it reaches a final equilibrium state (using an event-driven simulation algorithm), and accurately generates the final concentrations of all reaction components.

  • Can run the simulation utilizing a user-provided reaction-rate model (using a time-driven simulation algorithm), and display the reactant/product compositions graphically as a function of time.

  • Can evaluate the effects of pressure changes at equilibrium and produce the pressure-adjusted final compositions of products and reactants.

  • Additionally, can simulate acid-base titrations based on simulations of incremental titrant volumes, utilizing the same underlying simulation technology used for general reactions.

  • Puts a powerful modeling and simulation capability in the hands of chemistry students and teachers. It is not an animation tool, but a real simulation tool -- similar to tools used in industry -- that can help with serious scientific study and inquiry.

  • ChemReaX is web-based and hosted on the cloud. There is nothing to install on the user's computer and any web browser will do for accessing the tool.


FoodCarbonScope™ is a web-based environmental life-cycle assessment (LCA) software tool for the modeling and analysis of life cycle greenhouse gas (GHG) emissions, energy use and water use in food and beverage products. It has been used extensively in teaching and research and is an ideal tool for introducing students to the theory and practice of LCA. FoodCarbonScope was originally developed by CleanMetrics (the predecessor to Science By Simulation) and is available free for academic and research use -- it does require registration, so please send your request from a valid academic email address to


  • Provides an interactive, easy-to-use platform for analyzing complex product supply chains. .

  • Comprehensive analysis, covering all life cycle stages from cradle to grave (agriculture, processing/packaging, distribution, retail, cooking, waste disposal, etc.) and accounting for all GHG emissions and resource use.

  • Comes with the largest commercially available life cycle inventory (LCI) database for North American food production and processing, as well as additional data for Europe and other parts of the world.

  • Includes a simulation engine under the hood. Delivers standards-compliant product life cycle assessment (LCA) results. Highly customizable to match the level of detail needed for the problem at hand.

  • Targets the three environmental metrics that are most critical for businesses and consumers: GHG emissions, energy use and water use.

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