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Computational Chemistry

Close up shot of computer parts

Tackling next-gen problems with computational chemistry

Computational chemists aim to use computer simulations of chemical systems to understand their physical properties. The insights gained from computational chemistry can be used to interpret experimental results, guide future experiments and even design molecules and functional materials with desired chemical properties. Computational chemistry is used to tackle challenging problems in all areas of chemistry, from predicting the efficacy of pharmaceutical compounds to designing next-generation solar cells.

“If you want to study the real world in a theoretical sense, you end up using computers very quickly.”
Tim Zuehlsdorff Assistant Professor of Computational Chemistry

We are accepting graduate students!

Computational chemistry graduate students gain a wealth of experience while working alongside world-class faculty.

Learn more about becoming a grad student  
Find out about our first-year courses 
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Research seminars

We maintain an active seminar program with both academic and industrial speakers from across the country and around the world. These seminars are typically given on Thursday afternoons at 4 pm.

Students actively participate in the seminar program through individual meetings with the speakers. In addition, students also have more informal interactions including lunch with the visiting scientists. In fact, many of the lunches have ultimately translated into postdoctoral positions and job opportunities.

Each spring, a leader in the field of organic chemistry is invited to present the James D. White Honorary Lecture. This award was started in 2011 to honor the distinguished Professor Emeritus Jim White. Professor White has made sizable contributions to organic chemistry research for over four decades at Oregon State University and was honored with the Centenary Medal (1999), Cope Scholar Award (2003), and MDF Discovery Award (2004).