This graduate textbook written by experienced lecturers features the study and computation of
efficient reactive processes. The text begins with the problem of determining the chemical
reaction properties by first decomposing complex processes into their elementary components.
Next the problem of two colliding mass points is investigated and relationships between
initial conditions and collision outcomes are discussed. The failure of classical approaches to
match experimental information is discussed and a quantum formulation of the calculation of the
properties of two colliding bodies is provided. The authors go onto describe how the formalism
is extended to structured collision partners by discussing the methods used to compute the
electronic structure of polyelectronic reactants and products and the formalism of atom diatom
reactions. Additionally the relationships between the features of the potential energy surface
and the outcomes of the reactive dynamics are discussed. Methods for computing quantum
classical and semi-classical reactive probabilities based on the already discussed concepts
and tools are also featured and the resulting main typical reactive behaviors are analyzed.
Finally the possibility of composing the computational tools and technologies needed to tackle
more complex simulations as well as the various competences and distributed computing
infrastructure needed for developing synergistic approaches to innovation are presented.
