Minima hopping: An efficient search method for the global minimum of the potential energy surface of complex molecular systems

Journal of Chemical Physics

Volumn 120, Issue 21, 2004, Pages 9911-9917

  Goedecker, Stefan ^a  

^a UNIVERSITY OF BASEL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CRYSTALLINE MATERIALS; GENETIC ALGORITHMS; GLOBAL OPTIMIZATION; GROUND STATE; MARKOV PROCESSES; MOLECULAR DYNAMICS; SIMULATED ANNEALING; THERMODYNAMICS; TRAJECTORIES;

BASIN HOPPING; BOLTZMANN FACTOR; MOLECULAR SYSTEMS; THERMODYNAMIC PRINCIPLES;

POTENTIAL ENERGY;

EID: 2942692078     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1724816     Document Type: Article

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