Computational materials science

"Preface No longer underestimated, computational science has emerged as a powerful partner to experimental and theoretical studies. Accelerated by the ever-growing power of computers and new computational methods, it is one of the fastest growing fields in science these days. Its predictive power in atomic and subatomic scales benefits all disciplines of science, and materials science is definitely one of them. Note that, for example, materials under extreme conditions such as high temperature or pressure, high radiation, on a very small scale, can be rather easily examined via the keyboard…