Molecular Simulation of Equilibrium Properties: Parallel Implementation (Classic Reprint) - Softcover

Malvin H. Kalos

 
9781332874194: Molecular Simulation of Equilibrium Properties: Parallel Implementation (Classic Reprint)

Synopsis

This book presents a method for simulating representative configurations of many-body systems in equilibrium, using a Monte Carlo algorithm. This method is often used to study condensed matter, and can be applied to simulate fluids composed of complex molecules, such as water or hexane, if sufficient computing power is available. The author presents a detailed analysis of the algorithm and its implementation, including a discussion of the challenges and opportunities presented by parallelizing the algorithm for execution on an ultracomputer. The book also includes a description of the data structures used to represent the system, and a discussion of the synchronization mechanisms used to coordinate the parallel tasks. Through this work, the author provides a valuable resource for researchers interested in using Monte Carlo methods to simulate complex systems.

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