Free Energy Calculations

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This volume offers a coherent account of the concepts that underlie different approaches devised for the determination of free energies. It provides insight int

New Algorithms for Macromolecular Simulation

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Molecular simulation is a widely used tool in biology, chemistry, physics and engineering. This book contains a collection of articles by leading researchers wh

Algae and Sustainable Technologies

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Algal and sustainable technologies: Bioenergy, Nannotechnology and Green chemistry is an interdisciplinary overview of the world’s major problems; water scarc

Molecular Networking

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The book builds on the analogy between social groups and assemblies of molecules to introduce the concepts of statistical mechanics, machine learning and data s

Contemporary High Performance Computing

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Contemporary High Performance Computing: From Petascale toward Exascale, Volume 3 focuses on the ecosystems surrounding the world’s leading centers for high p