Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Computational chemistry encompasses the simulation and theoretical modelling of chemical systems, providing insights into reaction dynamics, electronic structure, and molecular interactions. Density ...

Professor Gherman’s research focuses on the computational modeling of bioinorganic chemistry. The principal goal of his research involves the application of computational chemistry methods to study ...