Introduction to Molecular Dynamics Simulations: A Practical Guide Using C/C++, FORTRAN, and Python (Series in Computational Physics) ダウンロード

Isbn 10: 1138626694

Isbn 13: 978-1138626690

ダウンロード Introduction to Molecular Dynamics Simulations: A Practical Guide Using C/C++, FORTRAN, and Python (Series in Computational Physics) epub 本

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本の説明

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.

著者 :Titus A. Beu
Isbn 10 :1138626694
Isbn 13 :978-1138626690
によって公開 :2023/12/31
出版社 :CRC Press
言語 :英語
寸法と寸法 Introduction to Molecular Dynamics Simulations: A Practical Guide Using C/C++, FORTRAN, and Python (Series in Computational Physics):17.81 x 25.4 cm
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