Robuta

The Official homepage of the SMU CATCO group - A Computational and Theoretical Chemistry group for conveying CATCO research and CATCO education.

Until this year, my computational chemistry courses only covered electronic structure and molecular simulation. Machine learning is now used...

Computational Systems Chemistry. Our research covers a broad range of domains from nanoscale materials properties, atmospheric chemistry to biological systems.

The Welborn group is developing computational chemistry methods to model biological interfaces.

Jun 13, 2025 - Maximize your impact on discovery programs with the industry-leading molecular modeling platform

The Liang Group develops and applies methods in computational chemistry to understand photoactive biological systems.

Computational Chemistry and Microwaves

COMPUTATIONAL CHEMISTRY DAYS 2018