東華大學圖書館 |

Language: English

Help

回圖書館首頁

手機版館藏查詢

Back

Switch To: Labeled | MARC Mode | ISBD

Molecular dynamics simulations in st...

Kamberaj, Hiqmet.

Linked to FindBook

Google Book

Amazon

博客來

Molecular dynamics simulations in statistical physics = theory and applications /

Record Type:	Electronic resources : Monograph/item
Title/Author:	Molecular dynamics simulations in statistical physics/ by 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.
[NT 15003449]:	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.
Contained By:	Springer eBooks
Subject:	Statistical physics. -
Online resource:	https://doi.org/10.1007/978-3-030-35702-3
ISBN:	9783030357023

Molecular dynamics simulations in statistical physics = theory 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

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

536281
Statistical physics.

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

Dewey Class. No.: 530.1595

Molecular dynamics simulations in statistical physics = theory and applications /
LDR:02923nmm a2200337 a 4500 001 2217343
003 DE-He213
005 20200810102553.0
006 m d
007 cr nn 008maaau
008 201120s2020 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 3450493
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 536281
650 1 4 $a Numerical and Computational Physics, Simulation. $3 2209853
650 2 4 $a Theoretical and Computational Chemistry. $3 890863
650 2 4 $a Computational Biology/Bioinformatics. $3 898313
650 2 4 $a Atomic/Molecular Structure and Spectra. $3 1066408
650 2 4 $a Characterization and Evaluation of Materials. $3 890988
650 2 4 $a Physical Chemistry. $3 890828
710 2 $a SpringerLink (Online service) $3 836513
773 0 $t Springer eBooks
830 0 $a Scientific computation. $3 1569496
856 4 0 $u https://doi.org/10.1007/978-3-030-35702-3
950 $a Physics and Astronomy (Springer-11651)