Molecular Dynamics Simulations in Statistical Physics: Theory and Applications
Hiqmet Kamberaj
Broschiertes Buch

Molecular Dynamics Simulations in Statistical Physics: Theory and Applications

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This book presents computer simulations using molecular dynamics techniques in statistical physics, with a focus on macromolecular systems. The numerical methods are introduced in the form of computer algorithms and can be implemented in computers using any desired computer programming language, such as Fortran 90, C/C++, and others. The book also explains how some of these numerical methods and their algorithms can be implemented in the existing computer programming software of macromolecular systems, such as the CHARMM program.In addition, it examines a number of advanced concepts of compute...