Reaction Design of San Diego, California, USA, was founded in 1995 to provide software simulation and modeling tools to help process engineers create more efficient and environmentally friendly manufacturing processes. 

The founders recognized that no good commercial simulation software existed to bridge the gap between laboratory-based chemical synthesis and the design and optimization by process engineers of plant scale systems to produce the same product. This privately held company is committed to the ongoing development of a comprehensive and easy-to-use set of software simulation tools that incorporate both chemical reaction and transport models. Reaction Design engineers also consult with companies to provide software-based solutions to the customer's specific chemical process problems. These software products and consulting services help industrial customers develop better products faster, with greater yield, higher quality and at a lower cost, with minimized impact on the environment.

In 1997, Sandia National Laboratories selected Reaction Design as the exclusive worldwide licensee for its CHEMKIN Collection and other software, which it had developed to aid in the design of processes that utilize chemical reactions. Under this agreement, Reaction Design markets, supports, enhances and expands this set of software modeling tools. Today, there are hundreds of industrial and academic users of the CHEMKIN Collection worldwide.

Reaction Design was founded by Dr. David H. Klipstein, formerly Senior Vice-President of Technology and Marketing at Biosym Technologies, and Dr. Gregory J. McRae, Bayer Professor of Chemical Engineering at Massachusetts Institute of Technology (MIT).