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!

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About Zach Armstrong, PhD

Zach earned his PhD in Physical Chemistry in 2022 from the University of Wisconsin – Madison under the supervision of Prof. Marty Zanni. Zach’s graduate research used ultrafast laser spectroscopy to understand the impacts of disorder on the electronic structure and dynamics of excitons in a range of semiconducting materials. From organic photovoltaic polymer thin-films to layered two-dimensional perovskites, Zach found that simulation of a material’s electronic structure and its energy transfer processes was often essential to interpret congested and confusing spectroscopic data. These experiences taught Zach the power of computational chemistry and its utility in driving materials research.

Zach started Cascade Computing to help companies leverage cutting-edge electronic structure techniques to gain new perspectives on the performance of their materials and search for suitable alternatives. Zach is a relentlessly curious researcher who is always excited to learn about a new challenge in the field of energy conversion and storage.

If you are interested in working with Zach, get in touch at cascadecomputingllc@gmail.com

Hope to hear from you soon!