Theoretical & Computational Chemistry

Vinicius Candido Mota

Academic background

I have an undergraduate and a master degree in physics through Universidade Federal de Minas Gerais (UFMG) in my hometown, Belo Horizonte, Brazil. My PhD degree in Theoretical Chemistry has been obtained in the Theoretical & Computational Chemistry (T&CC) group, hosted at Universidade de Coimbra (UC), Portugal, working under the supervision of Professor António Varandas. At the present I have a PosDoc position in the T&CC group.

Areas of interest

I am mostly interested in the modeling of electronic manifolds through the construction of multisheeted Potential Energy Surfaces (PES) to investigate nonadiabatic effects in dynamics of chemical reactions and spectroscopy. Electronic structure calculations employing multi-configurational wave-functions as well as reaction dynamics  involving many electronic states, are also of my interest.

Most representative work:

Toward the Modeling of the NO2(2A'') Manifold

HN2(2A‘) Electronic Manifold. II. Ab Initio Based Double-Sheeted DMBE Potential Energy Surface via a Global Diabatization Angle