Computational Methods for Large Systems: Electronic Structure Approaches for Biotechnology and Nanotechnology

While its results normally complement the information obtained by chemical experiments, computer computations can in some cases predict unobserved chemical phenomena Electronic-Structure Computational Methods for Large Systems gives readers a simple description of modern electronic-structure techniques. It shows what techniques are pertinent for particular problems in biotechnology and nanotechnology and provides a balanced treatment of topics that teach strengths and weaknesses, appropriate and inappropriate methods. It’s a book that will enhance the your calculating confidence and improve your ability to predict new effects and solve new problems.

Avainsanat: Computational Chemistry & Molecular Modeling, electronic-structure computational methods, biotechnology, nanotechnology, computational chemistry, nanoscience, materials science