A parallel evolutionary algorithm to search for global minima geometries of heterogeneous ab initio atomic clusters

Author(s):  
Omar Paranaiba Vilela Neto ◽  
Marco Aurelio C. Pacheco
2015 ◽  
Vol 17 (27) ◽  
pp. 18146-18151 ◽  
Author(s):  
Hom Sharma ◽  
Vinit Sharma ◽  
Tran Doan Huan

New phases of PtSO4 and PdSO4 are identified and their pressure–temperature phase diagrams are constructed using ab initio calculations.


Author(s):  
Miguel Castro ◽  
Graciela Román ◽  
Jorge Buenabad ◽  
Alma Martínez ◽  
John Goddard

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