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Structural search for stable Mg-Ca alloys accelerated with a neural network interatomic model.
Phys Chem Chem Phys. 2018 Nov 7;20(43):27545-27557. doi: 10.1039/c8cp05314f.
Phys Chem Chem Phys. 2018.
PMID: 30371696
Investigation of novel crystal structures of Bi-Sb binaries predicted using the minima hopping method.
Singh S, Ibarra-Hernández W, Valencia-Jaime I, Avendaño-Franco G, Romero AH.
Singh S, et al. Among authors: avendano franco g.
Phys Chem Chem Phys. 2016 Nov 2;18(43):29771-29785. doi: 10.1039/c6cp05401c.
Phys Chem Chem Phys. 2016.
PMID: 27722708
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Firefly Algorithm for Structural Search.
Avendaño-Franco G, Romero AH.
Avendaño-Franco G, et al.
J Chem Theory Comput. 2016 Jul 12;12(7):3416-28. doi: 10.1021/acs.jctc.5b01157. Epub 2016 Jun 29.
J Chem Theory Comput. 2016.
PMID: 27232694
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Firefly Algorithm Applied to Noncollinear Magnetic Phase Materials Prediction.
Payne A, Avendaño-Franco G, Bousquet E, Romero AH.
Payne A, et al. Among authors: avendano franco g.
J Chem Theory Comput. 2018 Aug 14;14(8):4455-4466. doi: 10.1021/acs.jctc.8b00404. Epub 2018 Jul 17.
J Chem Theory Comput. 2018.
PMID: 29966084
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A Machine-Driven Hunt for Global Reaction Coordinates of Azobenzene Photoisomerization.
Tavadze P, Avendaño Franco G, Ren P, Wen X, Li Y, Lewis JP.
Tavadze P, et al. Among authors: avendano franco g.
J Am Chem Soc. 2018 Jan 10;140(1):285-290. doi: 10.1021/jacs.7b10030. Epub 2017 Dec 27.
J Am Chem Soc. 2018.
PMID: 29235856
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Machine-Learning Prediction of CO Adsorption in Thiolated, Ag-Alloyed Au Nanoclusters.
Panapitiya G, Avendaño-Franco G, Ren P, Wen X, Li Y, Lewis JP.
Panapitiya G, et al. Among authors: avendano franco g.
J Am Chem Soc. 2018 Dec 19;140(50):17508-17514. doi: 10.1021/jacs.8b08800. Epub 2018 Nov 26.
J Am Chem Soc. 2018.
PMID: 30406644
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