Applications of Artificial Intelligence in Chemistry details the various applications of artificial intelligence in the chemical science fields. Artificial intelligence is not just about making machines think; it is also a powerful problem-solving tool. Many scientific problems can be solved only with difficulty using conventional methods, yet these same problems may be ideally suited to attack using artificial intelligence. The chapters cover artificial intelligence, artificial neural networks, expert systems, and genetic algorithms.
Book
H. Grant Guy and Richards W. Graham
Computational Chemistry starts by arguing that the uses of computers in chemistry are many and varied. This ranges from the modelling of solid state systems to the design of complex molecules which can be used as drugs. This text introduces the many methods currently used by practising computational chemists and shows the value of computers in modern chemical research. The text describes the various computational techniques available and explains how they can be applied to single molecules, to assemblies of molecules, and to molecules undergoing reaction. An introductory chapter outlines the hardware and software available, and looks at some applications and developments. Subsequent chapters cover quantum mechanics, molecular mechanics, statistical mechanics, the modelling of biomolecules, and drug design. Whilst emphasizing the use of computers to model biological systems, the chapters explain how the methods can be applied to a whole range of chemical problems.
Book
Jeremy Harvey
Computational Chemistry begins with an introduction to computation and the use of computers in chemistry. Next it turns to quantum chemistry and quantum chemical methods. The chapter that follows examines molecular mechanical methods. There follows a chapter on geometry optimization. The next couple of chapters look at dynamics and rate constants and equilibria. The last main chapter is about hybrid and multi-scale methods.
Book
Pete Biggs
Computers in Chemistry introduces the use of computer technology in the chemical sciences. Computers have become an integral part of chemistry. Virtually all modern scientific instrumentation contains some form of computer and, indeed, the operation of many instruments has become so complex that it is impossible without some degree of computer control. It is very important for the modern student of chemistry to have at least a basic knowledge of computers, and the deeper that knowledge is, the better use will be made of the techniques available.
