Theoretical and Computational Chemistry

Theoretical and Computational Chemistry

The research team at SMART consists of more than 30 people, including researchers, PhD students, post-doc and SNS staff, as well as collaborators of external institutions. The group is quite young, the average age is well below 35 years.

The research activity at SMART is mainly related to the Theoretical and Computational Chemistry and essentially aimed at the development, validation and application of methodologies based on quantum mechanics and statistical thermodynamics for the study of complex molecular systems. The theoretical models and the computational approaches developed by us are available to the entire scientific community and are used by many researchers around the world, both in the academia and industry.

SMART host a laboratory that uses immersive virtual reality systems to display different types of data (molecular systems, including largedimension, archaeological reconstructions, reproductions of black holes and more) and the interaction with them through natural gestures, allowing a better use and understanding of the data, both from scientific and educational point of view.

Methods Development