Computational Materials Science (Record no. 12093)

MARC details
000 -LEADER
fixed length control field 01509nmm a2200193Ia 4500
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 220920s9999||||xx |||||||||||||| ||und||
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number 9781000005233
082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER
Classification number 620.110 113
Item number L51C
100 ## - MAIN ENTRY--PERSONAL NAME
Personal name Lee, June Gunn.
Relator term Author
Language of a work English
9 (RLIN) 1435
245 #0 - TITLE STATEMENT
Title Computational Materials Science
Remainder of title : An Introduction
Statement of responsibility, etc. / by June Gunn Lee.
Medium [Electronic Resource]
250 ## - EDITION STATEMENT
Edition statement 2nd Ed.
260 ## - PUBLICATION, DISTRIBUTION, ETC.
Place of publication, distribution, etc. Boca Raton
Name of publisher, distributor, etc. : CRC Press,
Date of publication, distribution, etc. 2016
300 ## - PHYSICAL DESCRIPTION
Extent 376p.
520 ## - SUMMARY, ETC.
Summary, etc. This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods. The new edition expands upon the density functional theory (DFT) and how the original DFT has advanced to a more accurate level by GGA+U and hybrid-functional methods. It offers 14 new worked examples in the LAMMPS, Quantum Espresso, VASP and MedeA-VASP programs, including computation of stress-strain behavior of Si-CNT composite, mean-squared displacement (MSD) of ZrO2-Y2O3, band structure and phonon spectra of silicon, and Mo-S battery system. It discusses methods once considered too expensive but that are now cost-effective. New examples also include various post-processed results using VESTA, VMD, VTST, and MedeA.
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element Materials-Data Processing
9 (RLIN) 1436
Topical term or geographic name entry element Materials-Mathematical Models
9 (RLIN) 1437
856 ## - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier <a href="https://ebookcentral.proquest.com/lib/iitjin/detail.action?docID=5718787">https://ebookcentral.proquest.com/lib/iitjin/detail.action?docID=5718787</a>
Electronic format type PDF
Link text Click to Access the Online Book
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Koha item type e-Book
Suppress in OPAC
Holdings
Withdrawn status Lost status Damaged status Use restrictions Not for loan Collection Home library Current library Shelving location Date acquired Source of acquisition Cost, normal purchase price Total Checkouts Full call number Barcode Date last seen Price effective from Koha item type Public note
      e-Book For Access   Textbook S. R. Ranganathan Learning Hub S. R. Ranganathan Learning Hub Online 2022-09-20 Infokart India Pvt. Ltd., New Delhi 560.00   620.110 113 L51C EB0233 2022-09-20 2022-09-20 e-Book Platform : ProQuest