000			01971 a2200205 4500
003			OSt
020			_a9783030357016
040			_cIIT Kanpur
041			_aeng
082			_a530.1595 _bK128m
100			_aKamberaj, Hiqmet
245			_aMolecular dynamics simulations in statistical physics _btheory and applications _cHiqmet Kamberaj
260			_bSpringer Nature _c2020 _aSwitzerland
300			_axv, 463p
440			_aScientific computation
490			_a/ edited by J.- J. Chattot ...[et al.]
520			_aThis book presents computer simulations using molecular dynamics techniques in statistical physics, with a focus on macromolecular systems. The numerical methods are introduced in the form of computer algorithms and can be implemented in computers using any desired computer programming language, such as Fortran 90, C/C++, and others. The book also explains how some of these numerical methods and their algorithms can be implemented in the existing computer programming software of macromolecular systems, such as the CHARMM program. In addition, it examines a number of advanced concepts of computer simulation techniques used in statistical physics as well as biological and physical systems. Discussing the molecular dynamics approach in detail to enhance readers understanding of the use of this method in statistical physics problems, it also describes the equations of motion in various statistical ensembles to mimic real-world experimental conditions. Intended for graduate students and research scientists working in the field of theoretical and computational biophysics, physics and chemistry, the book can also be used by postgraduate students of other disciplines, such as applied mathematics, computer sciences, and bioinformatics. Further, offering insights into fundamental theory, it as a valuable resource for expert practitioners and programmers and those new to the field.
650			_aStatistical physics
942			_cBK
999			_c565002 _d565002