Bio: Dr. Nuno Almeida is a Research Associate at Michigan State University in Professor Wilson’s group. His research focuses on transition metal, lanthanide, and actinide electronic structure problems using multi-reference quantum mechanics methods. In addition, he works in collaboration with the pharmaceutical industry (REATA pharmaceuticals) in projects involving rational drug design applied to nuclear receptors, and in conjunction with the Pharmacology and Toxicology and Medicinal departments at MSU.

2022-08 Abstract Title: Transition metal oxide catalysts and routes towards accurate thermochemistry processes

Abstract Body: Discovering greener energy solutions is at the forefront of catalysis research, and a solution may lie in the components of stars. High-level quantum chemical calculations are necessary in obtaining accurate thermochemical and spectroscopic information. Herein, ab initio calculations of transition metal oxides and their electronic structure are explored in detail. In addition, O−H and C−H bond activation studies are also carried out for transition metal oxides. The second part of this work pertains to a powerful route to determine very accurate thermochemical properties of transition metals.