Theoretical &
Computational Chemistry
at Brown University

Our Work


We develop new, high-accuracy approaches for studying the electronic structure of solid state materials, heterogeneous catalysts, and molecules. We are known for our stochastic methods both for ground state and finite temperature problems that determine quantum properties using random numbers.

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Alternative Computing

We work on developing new algorithms and simulation techniques for quantum, molecular, and biological computers, as well as explore the potential applications of alternative computing to problems in chemistry and materials science.

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We focus on developing new statistical and machine learning methods for simulating the behavior and predicting the evolution of biomolecules.

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Our Values


We believe that diversity - of background, thought, discipline, and all of its many other forms - is a strength that advances our science and understanding of the world and its most important challenges. We welcome researchers of all backgrounds to join us and value nontraditional perspectives that push us to conceive of the world and solutions to problems in ways that we wouldn't have without them.


Collaboration is at the heart of our research group’s approach. We believe that working together, sharing ideas and perspectives, and pooling our resources and expertise is the best way to tackle complex scientific challenges. We encourage open communication, mutual respect, and a willingness to learn from one another. By collaborating effectively, we aim to achieve more than any of us could accomplish alone.

Work-Life Balance

In our research group, we recognize the importance of maintaining a healthy work-life balance. We believe that our productivity, creativity, and overall well-being depend on taking time for ourselves, our families, and our communities. We strive to create a supportive, flexible, and inclusive environment where everyone can pursue their scientific goals while also nurturing their personal interests and responsibilities.


The Rubenstein Group is always seeking creative, ambitious students, postdocs, and collaborators looking to push the frontiers of science in a multidisciplinary setting. The group generally takes 1-3 PhD students per year from chemistry, physics, and biochemistry, considers postdoctoral scholars as funds become available, and is always happy to try to accommodate undergraduates and high school students. If you are interested, please either email Professor Rubenstein or complete the contact form below. Note that PhD applications are due each year around December 15th and are evaluated by a full committee of faculty members.

Contact Us

A member of the group will get back to you via email as soon as possible.
  • For in-person meetings, you can find us in the 2nd Floor of Brown University GeoChem Building, located at the intersection of Brook St. and George St. in Providence, RI, 02906.