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The longstanding goal of computer simulation of materials is gaining accurate knowledge on structural and electronic properties of realistic condensed-matter systems. Since materials are complex in nature, past theoretical investigations were restricted mostly to simple models. Recent progress in computer technology made a realistic description of a wide range of materials possible. Since then the computational material science has rapidly developed and expanded into new fields in science and technologies, and computer simulations have become an important tool in many areas of academic and industrial research, such as physics, chemistry, biology and nanotechnology. This book focuses on the foundations and practical aspects of computational physics.
KeywordsGround State Density Computational Material Science Longstanding Goal Stationary Density Functional Theory Photonic Energy Band
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