Download Molecular Dynamics: Probability and Uncertainty 2025
Molecular Dynamics: Probability and Uncertainty book pdf download covers the rich tapestry of molecular dynamics and its intersections with biological and medical sciences, materials science and engineering, and artificial intelligence, alongside uncertainty quantification. This enables the authors to highlight the critical role of molecular dynamics in delivering actionable outcomes for drug discovery, materials design and beyond.
Beginning with a solid introduction to the intricate world of molecular dynamics, the book goes on to describe its modern probabilistic formulation. It investigates ensemble-based molecular dynamics simulations and free energies, uncovering both the way that ensemble techniques revolutionize simulation methodologies and how they empower researchers to generate new insights. Further, the book explores the exciting realm of simulations for advanced materials and discusses verification, validation and uncertainty quantification, illuminating the synergies between molecular dynamics and artificial intelligence and their potential for transformative breakthroughs.
eBook details
- Author (s): Peter V. Coveney, Shunzhou Wan
- Publication year: 2025
- Publisher: Oxford University Press
- Language: English
- ISBN: 0198893418, 9780198893417
- Pages: 257
- Book format: PDF
- File size: 3 MB
