Böcker av Titus A. (University Babes-Bolyai Beu

This book provides an in-depth introduction to molecular dynamics (MD) simulation, the basis for computational study of complex atomic and molecular systems. The author clarifies the role of different variables and sequences throughout, avoids excessive mathematical detail, emphasizes graphical representations, and highlights illustrative applications in materials science, biology, and biochemistry. The text also presents tips for speeding up calculations and parallelization techniques based on OpenMP. The final section offers hands-on training to open-source MD codes (NAMD) and associated post-processing.

Useful and practical advice to aid those contemplating charging for the first time.Covers topics such as market research, user consultation and input, costing and pricing, legal liability, manuals of procedures, terms of business, budgetary control, marketing. Includes case studies.

This book introduces numerical programming using Python and C/C++, emphasizing methods used in physics and engineering. It helps readers develop the ability to navigate relevant algorithms, knowledge of coding design, and efficient scientific programming skills. It requires minimal background in mathematics, leading readers from elementary methods to complex algorithms useful in modern programming. It incorporates examples and real code throughout, as well as problem sets, to facilitate a hands-on learning experience.