omments on computational chemistry: From diatomic molecules to large biochemical systems

Comments are presented on a few aspects of computational chemistry, considering its evolution and eventual future developments. We also discuss in some detail two topics: first, a new quantum chemical approach that proposes the combination of Hartree-Fock and Heitler-Lonclon approximations at the ab initio and at the semi-empirical level and, second, a sketch for a computational approach aimed at simulations of biological systems with cellular complexity, following an introductory excursion through Newton and Langevin molecular dynamics, microdynamics, and cellular automata.