We are a theoretical group at Donostia International Physics Center in the beautiful city of Donostia-San Sebastián, Spain.

The research in the Chen group focuses on applying creative computational chemistry methods/models to interdisciplinary research at the interface of organic chemistry, materials science, and high-pressure science.

We strive to understand structures (molecular and extended) and reaction mechanisms using a variety of computational tools. The knowledge obtained is used to rationally design useful molecules/materials and propose realistic synthetic routes, including those in untypical, new environments.

Current research topics in the group include computational high-pressure organic chemistry, nanothread chemistry and physics, and diradicals and carbenes.