Ross Walker eBooks

Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics combines an accessible introduction to GPUs and GPU programming with a comprehensive overview of the present state of GPU accelerated quantum mechanical methods, their implementation, as well as representative applications. The book begins with an introduction to parallel computing and the massively parallel hardware design underlying modern GPUs, contrasting this to modern central processing units (CPUs). This is followed by an overview of programming models and software libraries that are available for GPU software development as required for quantum mechanical applications, as well as the considerations that have to be kept in mind w...