Quantum-ESPRESSO Tutorials

Quantum Chemistry with Quantum-ESPRESSO

Quantum Chemistry for Quantum-ESPRESSO tutorials have been running roughly monthly for the past two years. They have covered a wide range of topics, and we'll be migrating some of the best ones to this new site over the next couple of months. In the meantime, you can look at the old tutorial site here. I have enjoyed making these tutorials for everyone over the past two years, and I hope you have enjoyed using them, too. I started making these tutorials in order to better explain my research in a way that is more accessible and informative than is possible in a traditional journal article format. The tutorials have evolved into a series of user-driven guides to some of the most generally useful tips and tricks in using Quantum-ESPRESSO and other visualization and graphing software. As of April 20, 2013, these tutorials have been used by people in all 50 states in the US and Washington DC and over 110 countries throughout the world. Check out a map of all the places the tutorials have been accessed from:

in North America...

in the rest of the world...

and everywhere all together...

About Us

The Kulik group focuses on the development and application of new electronic structure methods and atomistic simulations tools in the broad area of catalysis.

Our Interests

We are interested in transition metal chemistry, with applications from biological systems (i.e. enzymes) to nonbiological applications in surface science and molecular catalysis.

Our Focus

A key focus of our group is to understand mechanistic features of complex catalysts and to facilitate and develop tools for computationally driven design.

Contact Us

Questions or comments? Let us know! Contact Dr. Kulik: