Driving energy research through computational science
Cascade Computing provides technical consulting driven by computational chemistry to aid research and development of batteries, photovoltaics, and beyond.

A passion for research
From energy conversion to storage, simulation of material properties and screening for similar materials can save hours in the laboratory.
Simulation and Prediction
Use state-of-the-art quantum chemistry techniques to understand and optimize your technology
Materials Discovery
The world is vast. See what’s out there. Careful screening of materials with select properties can identify new leads for development
Consulting
An outside perspective can often bring a breath of fresh air to challenging problems.
Cascade Computing is pleased to work on problems of all shapes and sizes. Projects can range from small, exploratory efforts to sweeping, comprehensive investigations. Cascade Computing will never tell you that pigs will fly, but hopes to tell how how far a pig shaped object could be thrown, or what the most pig-like flying object may be.
Tools to solve your problem
Each project brings unique challenges that inform the best approach to a solution. Every project starts with careful consideration of what computational methods or techniques will yield the most accurate and useful answer in the shortest amount of time.
Electronic Structure
- Battery electrode energetics
- Reaction thermodynamics
- Intermolecular interactions
- Stability analysis
- Excited states
- Structure prediction


Scientific Computing
- Monte Carlo simulation
- Numerical differential equations
- Custom simulation and data analysis projects
- Data visualization
” I’ve worked with Zach from Cascade Computing on two different materials discovery projects and have been consistently impressed by the quality of his work. As an experimental chemist myself, one of the things I appreciate most about Zach is that he always takes the time to thoroughly understand the problems we are trying to solve with computational chemistry and is able to seamlessly bridge the gap between experimental and computational work to make sure we are speaking the same language. At the end of each of our projects, he’s gone above and beyond in preparing a comprehensive report that has become a resource my team and I refer back to often.
Zach is the first person I call when I have a computational chemistry question and I know I can always count on him to come up with creative solutions, suggest additional resources, and do his own digging to help me figure out the answer to my problem. Working with Cascade Computing has saved us hours of time in the lab and has allowed us to spend more time doing the right experiments to move our technology forward. “
Margaret Lumley
CEO, Roca
A little taste of computational materials discovery…
Whether you know exactly what you are looking for, or are just curious about how computational chemistry can aid your research and development, let’s start a conversation!

