| Introduction to Molecular Dynamics Simulations: A Practical Guide Using C/C++, Fortran, and Python Contributor(s): Beu, Titus A. (Author) |
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ISBN: 1138626694 ISBN-13: 9781138626690 Publisher: CRC Press OUR PRICE: $123.45 Product Type: Hardcover Published: January 2026 This item may be ordered no more than 25 days prior to its publication date of January 5, 2026 |
| Additional Information |
| BISAC Categories: - Science | Physics - General - Science | Life Sciences - Biology - Science | Chemistry - Physical & Theoretical |
| Series: Series in Computational Physics |
| Physical Information: 512 pages |
| Descriptions, Reviews, Etc. |
| Publisher Description: 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. |