Research

General Overview

Our research interests focus on the developments and applications of accurate and efficient chemical theories and methods to tackle and resolve some of today’s challenging problems in the field of molecular electronics and catalysis. We follow a threefold interlinked research line: 1) developing accurate and efficient electronic-structure methods; 2) devising tools and schemes to probe the effect of intra- and intermolecular non-covalent interactions on molecular properties; 3) applying the methodologies devised in 1) and 2) to identify novel functional molecules relevant to the field of organic electronics and catalysis.