We are computational chemists

Our focus is to provide molecular-level insight across a broad spectrum of chemical problems. From sustainability to fundamental questions in electronic structure, our team uses quantum chemical and classical methods to build models in collaboration with experimentalists. Additionally, we seek to create a collaborative and inclusive environment in our group. Current team members are from Bangladesh, Ghana, Vietnam, Mexico, India, and the US.

  • MCSCF Methods

    We study challenging electronic structures by performing high-level computations and developing new methods. Specifically, we are interested in complexes with non-innocent ligands, excited states, and reactivity.

  • Catalysis

    We seek to transform how plastics are made, unmade, and remade through innovative research, engaging education, and diverse partnerships that foster environmental stewardship.

  • Heavy Elements

    Through high-level computational modeling including relativistic corrections, the role of the 5f and 6d orbitals can be understood. This project involves collaborations with both theory and experimental groups!

  • Supportive Group

    We work together to not only train students as scientists but also as science communicators and writers. These soft skills are essential in all career paths.