Duarte Computational Chemistry Research Group

University of Oxford

We are a dynamic and diverse research group dedicated to advancing molecular design through the fusion of physical organic chemistry, atomistic simulations, and machine learning.

In our research, we use computational methods to understand fundamental problems in (bio)organic chemistry and tackle challenges in catalysis, sustainability, and health, collaborating closely with experimentalists and developing open-source computational tools for the scientific community.

Click on the research sections below for more details