Dr Joe McDouall: book published

Computational Quantum Chemistry: Molecular Structure and Properties in Silico published in June 2013.

In June Joe McDouall’s book Computational Quantum Chemistry: Molecular Structure and Properties in Silico was published. “Computational quantum chemistry is an elegant conjunction of chemistry, physics, mathematics and computer science. Chemistry defines the question. Physics defines the laws that are obeyed by the chemical system. Mathematics formulates a numerical representation of the problem. Computer science solves the mathematical model, yielding numbers that encapsulate physical significance. … The insight gained from such numerical answers can lead to further questions. This often results in an iterative refinement of questions, answers and models … By such a process our understanding of a chemical question deepens".                                                                                   

▲ Up to the top