Articoli correlati a Computer Modelling of Fluids Polymers and Solids: 293

Computer Modelling of Fluids Polymers and Solids: 293 - Rilegato

 
9780792305491: Computer Modelling of Fluids Polymers and Solids: 293

Sinossi

One of the areas of greatest activity has concerned the modelling of condensed phases, including liquids solids and amorphous systems, where simulations have been used to provide insight into basic physical processes and in more recent years to make reliable predictions of the properties of the systems simulated.

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Contenuti

1. An Introduction to Computer Modelling of Condensed Matter.- 2. Towards Realistic Model Intermolecular Potentials.- 3. Molecular Dynamics.- 4. Monte Carlo Simulations.- 5. Non-Equilibrium Statistical Mechanics and Molecular Dynamics Computations.- 6. The Path-Integral Simulation of Quantum Systems.- 7. The Method of Constraints: Application to a Simple N-Alkane Model.- 8. Molecular Dynamics of Chain Molecules.- 9. Computer Modelling of Oxide Surfaces and Interfaces.- 10. Hardware Issues in Molecular Dynamics Algorithm Design.- 11. Parallel Computers and the Simulation of Solids and Liquids.- 12. Molecular Simulations of Protein Structure, Dynamics and Thermodynamics.- 13. Simulation of Plastic Crystals.- 14. Molecular Dynamics Simulations of Aqueous Systems.- 15. Computer Simulation of Inorganic Materials.- 16. Computer Modelling of the Structure and Thermodynamic Properties of Silicate Minerals.- Appendix: Computer Simulation Exercises.

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