The global optimization of Pt₁₃ cluster using the first-principle molecular dynamics with the quenching technique

DOI10.1007/S10955-018-2003-3zbMATH Open1395.82022OpenAlexW2794356703WikidataQ130120200 ScholiaQ130120200MaRDI QIDQ721785FDOQ721785

Authors: Xiangping Chen, Haiming Duan, Biaobing Cao, Meng-Qiu Long 

Publication date: 20 July 2018

Published in: Journal of Statistical Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10955-018-2003-3

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zbMATH Keywords

global optimizationmolecular dynamicsfirst-principle calculationmetal clusters

Mathematics Subject Classification ID

Molecular physics (81V55) Quantum equilibrium statistical mechanics (general) (82B10)

Cited In (3)

• An efficient optimization algorithm that hybridizes DFTB and DFT theories both operated within the modified basin hopping method
• Dynamical study of metallic clusters using the statistical method of time series clustering
• HEAT CAPACITY OF 13- AND 19-ATOM PD–CO BINARY CLUSTERS: PARALLEL TEMPERING MONTE CARLO STUDY

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