Molecular Dynamics: Probability and Uncertainty
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portes grátis
Molecular Dynamics: Probability and Uncertainty
Wan, Shunzhou; Coveney, Peter V.
Oxford University Press
05/2025
256
Dura
Inglês
9780198893417
15 a 20 dias
Descrição não disponível.
1: Introduction to Classical Mechanics
2: The Probabilistic Formulation of Molecular Dynamics
3: Ensemble-based Molecular Dynamics Simulations and Free Energies
4: Advanced Materials
5: Verification, Validation and Uncertainty Quantification
6: Molecular Dynamics and Artificial Intelligence
7: The End of Certainty
Appendix 1: Molecular dynamics codes and packages
Appendix 2: MD engines, job execution, resource management and VVUQ
Appendix 3: Modern supercomputers and molecular dynamics simulation
Appendix 4: Simulation and Force Field Parameters in Uncertainty Quantification Studies
Glossary
Bibliography
References and Notes
Sources of figures
2: The Probabilistic Formulation of Molecular Dynamics
3: Ensemble-based Molecular Dynamics Simulations and Free Energies
4: Advanced Materials
5: Verification, Validation and Uncertainty Quantification
6: Molecular Dynamics and Artificial Intelligence
7: The End of Certainty
Appendix 1: Molecular dynamics codes and packages
Appendix 2: MD engines, job execution, resource management and VVUQ
Appendix 3: Modern supercomputers and molecular dynamics simulation
Appendix 4: Simulation and Force Field Parameters in Uncertainty Quantification Studies
Glossary
Bibliography
References and Notes
Sources of figures
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
1: Introduction to Classical Mechanics
2: The Probabilistic Formulation of Molecular Dynamics
3: Ensemble-based Molecular Dynamics Simulations and Free Energies
4: Advanced Materials
5: Verification, Validation and Uncertainty Quantification
6: Molecular Dynamics and Artificial Intelligence
7: The End of Certainty
Appendix 1: Molecular dynamics codes and packages
Appendix 2: MD engines, job execution, resource management and VVUQ
Appendix 3: Modern supercomputers and molecular dynamics simulation
Appendix 4: Simulation and Force Field Parameters in Uncertainty Quantification Studies
Glossary
Bibliography
References and Notes
Sources of figures
2: The Probabilistic Formulation of Molecular Dynamics
3: Ensemble-based Molecular Dynamics Simulations and Free Energies
4: Advanced Materials
5: Verification, Validation and Uncertainty Quantification
6: Molecular Dynamics and Artificial Intelligence
7: The End of Certainty
Appendix 1: Molecular dynamics codes and packages
Appendix 2: MD engines, job execution, resource management and VVUQ
Appendix 3: Modern supercomputers and molecular dynamics simulation
Appendix 4: Simulation and Force Field Parameters in Uncertainty Quantification Studies
Glossary
Bibliography
References and Notes
Sources of figures
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
