000			01115nam a2200121Ia 4500
008			220620s9999||||xx |||||||||||||| ||und||
100			_aKurzydlowski, Dominik||Hermann, Andreas
245		0	_aFirst-Principles Prediction of Structures and Properties in Crystals
546			_aEnglish[eng]
650			_aab 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			_uhttps://mdpi.com/books/pdfview/book/1746
942			_cEB
999			_c33904 _d33904