國立高雄大學圖資館 |

Language: English

Back

Molecular dynamics simulations in st...

Kamberaj, Hiqmet.

Molecular dynamics simulations in statistical physicstheory and applications /

Record Type:	Electronic resources : Monograph/item
Title/Author:	Molecular dynamics simulations in statistical physicsby Hiqmet Kamberaj.
Reminder of title:	theory and applications /
Author:	Kamberaj, Hiqmet.
Published:	Cham :Springer International Publishing :2020.
Description:	xv, 463 p. :ill., digital ;24 cm.
Contained By:	Springer eBooks
Subject:	Statistical physics.
Online resource:	https://doi.org/10.1007/978-3-030-35702-3
ISBN:	9783030357023$q(electronic bk.)

Molecular dynamics simulations in statistical physicstheory and applications /
Kamberaj, Hiqmet.

Molecular dynamics simulations in statistical physicstheory and applications /[electronic resource] :by Hiqmet Kamberaj. - Cham :Springer International Publishing :2020. - xv, 463 p. :ill., digital ;24 cm. - Scientific computation,1434-8322. - Scientific computation..

Principles of Classical Mechanics -- Principles of Classical Thermodynamics -- Principles of Statistical -- Thermodynamics of Biological Phenomena -- Free Energy Calculation Methods Used in Computer Simulations -- Molecular Dynamics Methods in Simulations of Macromolecules -- Slow Collective Variables of Macromolecular Systems -- Information Theory and Statistical Mechanics -- Practical Aspects of Molecular Dynamics Simulations -- Sympletic and Time Reversible Integrator -- Index.

This 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.

ISBN: 9783030357023$q(electronic bk.)

Standard No.: 10.1007/978-3-030-35702-3doiSubjects--Topical Terms:

183716
Statistical physics.

LC Class. No.: QC174.8 / .K363 2020

Dewey Class. No.: 530.1595

Molecular dynamics simulations in statistical physicstheory and applications /
LDR:02923nmm a2200337 a 4500 001 572928
003 DE-He213
005 20200810102553.0
006 m d
007 cr nn 008maaau
008 200925s2020 sz s 0 eng d
020 $a 9783030357023$q(electronic bk.)
020 $a 9783030357016$q(paper)
024 7 $a 10.1007/978-3-030-35702-3 $2 doi
035 $a 978-3-030-35702-3
040 $a GP $c GP
041 0 $a eng
050 4 $a QC174.8 $b .K363 2020
072 7 $a PHU $2 bicssc
072 7 $a SCI040000 $2 bisacsh
072 7 $a PHU $2 thema
082 0 4 $a 530.1595 $2 23
090 $a QC174.8 $b .K15 2020
100 1 $a Kamberaj, Hiqmet. $3 860189
245 1 0 $a Molecular dynamics simulations in statistical physics $h [electronic resource] : $b theory and applications / $c by Hiqmet Kamberaj.
260 $a Cham : $b Springer International Publishing : $b Imprint: Springer, $c 2020.
300 $a xv, 463 p. : $b ill., digital ; $c 24 cm.
490 1 $a Scientific computation, $x 1434-8322
505 0 $a Principles of Classical Mechanics -- Principles of Classical Thermodynamics -- Principles of Statistical -- Thermodynamics of Biological Phenomena -- Free Energy Calculation Methods Used in Computer Simulations -- Molecular Dynamics Methods in Simulations of Macromolecules -- Slow Collective Variables of Macromolecular Systems -- Information Theory and Statistical Mechanics -- Practical Aspects of Molecular Dynamics Simulations -- Sympletic and Time Reversible Integrator -- Index.
520 $a This 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 0 $a Statistical physics. $3 183716
650 1 4 $a Numerical and Computational Physics, Simulation. $3 758154
650 2 4 $a Theoretical and Computational Chemistry. $3 273882
650 2 4 $a Computational Biology/Bioinformatics. $3 274833
650 2 4 $a Atomic/Molecular Structure and Spectra. $3 455686
650 2 4 $a Characterization and Evaluation of Materials. $3 273978
650 2 4 $a Physical Chemistry. $3 273698
710 2 $a SpringerLink (Online service) $3 273601
773 0 $t Springer eBooks
830 0 $a Scientific computation. $3 561432
856 4 0 $u https://doi.org/10.1007/978-3-030-35702-3
950 $a Physics and Astronomy (Springer-11651)