Our research group uses computational chemistry to understand how molecular structure, bonding, and motion control chemical behavior. We combine electronic structure theory, molecular simulation, and data analysis to study problems in physical chemistry, materials chemistry, and chemical bonding.
Students in the group work on projects that connect molecular-level calculations with broader chemical questions. These projects can involve quantum chemistry calculations, molecular visualization, Python-based data analysis, literature review, and scientific writing.
Molecular Crystals and Vibrational Motion
Molecular crystals are held together by weak intermolecular interactions, but their properties often depend on subtle molecular motions. Our group studies how lattice vibrations, molecular flexibility, temperature, and pressure influence crystal stability. This work is relevant to materials chemistry, planetary science, and pharmaceutical molecular crystals.
Chemical Bonding and Molecular Structure
We use quantum chemistry to study how orbital interactions, electrostatics, steric effects, and molecular geometry shape chemical structure. These projects ask how molecules choose particular conformations and how changes in bonding affect molecular properties.
Computational Methods and Data Analysis
Our group develops and applies computational workflows for studying molecular systems. Students learn how to run calculations, organize data, write analysis scripts, make figures, and connect computational results to chemical interpretation.
Student Research Opportunities
Students interested in computational chemistry do not need to have prior research experience to get started. New students can begin by learning molecular visualization, basic quantum chemistry calculations, Python-based data analysis, and how to read the scientific literature.
Students interested in joining the group are encouraged to visit the Join the Group page or contact Dr. Sode.