First-Principles Prediction of Structures and Properties in Crystals (Record no. 33904)

MARC details
000 -LEADER
fixed length control field 01115nam a2200121Ia 4500
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field 220620s9999||||xx |||||||||||||| ||und||
100 ## - MAIN ENTRY--PERSONAL NAME
Personal name Kurzydlowski, Dominik||Hermann, Andreas
245 #0 - TITLE STATEMENT
Title First-Principles Prediction of Structures and Properties in Crystals
546 ## - LANGUAGE NOTE
Language note English[eng]
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element ab initio||n/a||magnetic Lennard–Jones||superconductivity||global optimisation||electrical engineering||first-principles||semiconductors||refractory metals||genetic algorithm||DFT||crystal structure prediction||electronic structure||indium arsenide||van der Waals corrections||charged defects||Ir-based intermetallics||point defects||electronic properties||learning algorithms||half-Heusler alloy||molecular crystals||chlorine||optical properties||ab initio calculations||magnetic properties||structure prediction||thermoelectricity||high-pressure||density functional theory||magnetic materials||structural fingerprint||crystal structure||semihard materials||silver||formation energy||Heusler alloy||battery materials||elastic properties
856 ## - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier <a href="https://mdpi.com/books/pdfview/book/1746">https://mdpi.com/books/pdfview/book/1746</a>
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Koha item type E-Books
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        Kerala University of Digital Sciences, Innovation and Technology Knowledge Centre Kerala University of Digital Sciences, Innovation and Technology Knowledge Centre 20/06/2022   20/06/2022 20/06/2022 E-Books