Welcome to the Kitchin Group
Our group utilizes chemistry, catalysis and engineering to develop solutions to energy and environment related problems such as CO2 capture, catalyis and chemical energy storage. We use experimental and computational methods in electrochemistry, sorbent development and electro/catalyst design.
- January 03, 2018 New publication in Molecular Simulation
- December 31, 2017 2017 in a nutshell for the Kitchin Research group
- September 25, 2017 New publication in J. Phys. Chem. Lett.
- August 06, 2017 New publication in Journal of Physics Condensed Matter
- August 05, 2017 New publication in Crystal Growth & Design
Current post (532 and counting)
New publication in Molecular Simulation January 03, 2018
This paper is our latest work using neural networks in molecular simulation. In this work, we build a Behler-Parinello neural network potential of bulk zirconia. The potential can describe seve ...
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