A termék adatai:
| ISBN13: | 9780198893417 |
| ISBN10: | 0198893418 |
| Kötéstípus: | Keménykötés |
| Terjedelem: | 272 oldal |
| Méret: | 246x171 mm |
| Nyelv: | angol |
| Illusztrációk: | 47 colour images |
| 700 |
Témakör:
Molecular Dynamics: Probability and Uncertainty
Sorozatcím:
Oxford Graduate Texts;
Kiadó: OUP Oxford
Megjelenés dátuma: 2025. május 15.
Normál ár:
Kiadói listaár:
GBP 55.00
GBP 55.00
Az Ön ára:
25 052 (23 859 Ft + 5% áfa )
Kedvezmény(ek): 10% (kb. 2 784 Ft)
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Rövid leírás:
Dive into the captivating realm of molecular dynamics with this comprehensive guide, offering a unique blend of classic techniques and cutting-edge probabilistic formulations. In this insightful journey, we explore the fundamental principles, advanced applications, and emerging frontiers shaping the field today.
Hosszú leírás:
Embark on a fascinating exploration of molecular dynamics, seamlessly blending the new probabilistic interpretation with cutting-edge simulations, some of which are performed on the largest supercomputers on our planet. From fundamental principles to cutting-edge applications, this book offers a rich tapestry of molecular dynamics, and its intersection with biological science, materials science, artificial intelligence, and uncertainty quantification.
Beginning with a solid introduction to the intricate world of molecular dynamics, the book goes on to describe the modern probabilistic formulation of molecular dynamics, and ventures into ensemble-based molecular dynamics simulations and free energies, discovering how ensemble techniques revolutionize simulation methodologies and empower researchers to unlock new insights into actionable predictions in real-world problems. Further, the book explores the exciting realm of simulations for advanced materials, and discusses verification, validation and uncertainty quantification, and uncovers the dynamic intersection of molecular dynamics and artificial intelligence illuminating the synergies between these fields and their potential for transformative breakthroughs.
Whether you're a seasoned researcher seeking to expand your knowledge or a curious student eager to delve into the complexities of molecular dynamics, this book serves as an indispensable resource, challenging conventional approaches, offering fresh perspectives, and unlocking new insights into real-world problems in this captivating field.
Beginning with a solid introduction to the intricate world of molecular dynamics, the book goes on to describe the modern probabilistic formulation of molecular dynamics, and ventures into ensemble-based molecular dynamics simulations and free energies, discovering how ensemble techniques revolutionize simulation methodologies and empower researchers to unlock new insights into actionable predictions in real-world problems. Further, the book explores the exciting realm of simulations for advanced materials, and discusses verification, validation and uncertainty quantification, and uncovers the dynamic intersection of molecular dynamics and artificial intelligence illuminating the synergies between these fields and their potential for transformative breakthroughs.
Whether you're a seasoned researcher seeking to expand your knowledge or a curious student eager to delve into the complexities of molecular dynamics, this book serves as an indispensable resource, challenging conventional approaches, offering fresh perspectives, and unlocking new insights into real-world problems in this captivating field.
Tartalomjegyzék:
Introduction to Classical Mechanics
The Probabilistic Formulation of Molecular Dynamics
Ensemble-based Molecular Dynamics Simulations and Free Energies
Advanced Materials
Verification, Validation and Uncertainty Quantification
Molecular Dynamics and Artificial Intelligence
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
The Probabilistic Formulation of Molecular Dynamics
Ensemble-based Molecular Dynamics Simulations and Free Energies
Advanced Materials
Verification, Validation and Uncertainty Quantification
Molecular Dynamics and Artificial Intelligence
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
