Molecular Simulation of Fluids
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Molecular Simulation of Fluids
Theory, Algorithms, Object-Orientation, and Parallel Computing
Sadus, Richard J.
Elsevier - Health Sciences Division
09/2023
614
Mole
Inglês
9780323853989
15 a 20 dias
Descrição não disponível.
1. Introduction 2. Ensembles, Thermodynamic Averages, and Particle Dynamics 3. Intermolecular Pair Potentials and Force Fields 4. Ab Initio, Two-Body and Three-Body Intermolecular Potentials 5. Calculating Molecular Interactions 6. Monte Carlo Simulation 7. Integrators for Molecular Dynamics 8. Non-Equilibrium Molecular Dynamics 9. Molecular Simulation of Ensembles 10. Molecular Simulation of Phase Equilibria 11. Molecular Simulation and Object-Orientation 12. Parallel Computing using GPUs and MPI Appendix: Software User's Guide
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Molecular Dynamics; Phase Equilibria; Intermolecular Potentials; Parallel Programming
1. Introduction 2. Ensembles, Thermodynamic Averages, and Particle Dynamics 3. Intermolecular Pair Potentials and Force Fields 4. Ab Initio, Two-Body and Three-Body Intermolecular Potentials 5. Calculating Molecular Interactions 6. Monte Carlo Simulation 7. Integrators for Molecular Dynamics 8. Non-Equilibrium Molecular Dynamics 9. Molecular Simulation of Ensembles 10. Molecular Simulation of Phase Equilibria 11. Molecular Simulation and Object-Orientation 12. Parallel Computing using GPUs and MPI Appendix: Software User's Guide
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
