As a researcher,  Wilsons work spans physical, theoretical, and computational chemistry.  She is engaged in areas including quantum mechanical and quantum dynamical method development, thermochemical and spectroscopic studies of small molecules, protein modeling and drug design, catalysis design, environmental challenges (i.e., CO, PFAS), heavy element and transition metal chemistry, and mechanical properties of materials.   Some of her computational chemistry methodologies, including ab initio' correlation consistent basis sets, correlation consistent composite approach (ccCA), complete basis set (CBS) procedures, and multireference wavefunction diagnostics for transition metals are utilized worldwide.  Her recent work on PFAS has provided insight upon the impact of these species on human health and potential mitigation strategies in the environment, including soils.  For drug design, she has been engaged in the development of strategies for a variety of anti-inflammatory diseases, end-stage kidney function, and tuberculosis.
She was named one of the top five most influential women chemists and top 40 most influential women in STEM in the world during 2010-2020.