Computational Methods for Predicting the Structures of Nanoalloys

Engineering Materials

Volumn , Issue , 2012, Pages 259-286

  Ferrando, Riccardo ^a  

^a UNIVERSITY OF GENOA   (Italy)

Author keywords

Density Functional Theory Level; External Shell; Global Optimization; Global Optimization Algorithm; Potential Energy Surface

Indexed keywords

COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; GENETIC ALGORITHMS; PHASE TRANSITIONS; POTENTIAL ENERGY; QUANTUM CHEMISTRY; SIMULATED ANNEALING; THERMODYNAMICS;

CHEMICAL ORDER; DENSITY FUNCTIONAL THEORY LEVEL; DENSITY-FUNCTIONAL-THEORY; EXTERNAL SHELL; GEOMETRIC STRUCTURE; GLOBAL OPTIMISATION; GLOBAL OPTIMIZATION ALGORITHM; NANO-ALLOYS; POTENTIAL-ENERGY SURFACES; STRUCTURE ORDERING;

GLOBAL OPTIMIZATION;

EID: 85126643928     PISSN: 16121317     EISSN: 18681212     Source Type: Book Series    
DOI: 10.1007/978-1-4471-4014-6_8     Document Type: Chapter

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