11 results on '"Avendaño-Franco, Guillermo"'
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2. Exploring DFT+U parameter space with a Bayesian calibration assisted by Markov chain Monte Carlo sampling
3. Structural and electronic properties of Fe-doped silver delafossites: AgAl1−xFexO2 and AgGa1−xFexO2 (x = 1–5%)
4. Design of Mg alloys: The effects of Li concentration on the structure and elastic properties in the Mg-Li binary system by first principles calculations
5. Time-dependent density functional theory study of charge transfer in collisions
6. Machine-Learning Prediction of CO Adsorption in Thiolated, Ag-Alloyed Au Nanoclusters.
7. Structural search for stable Mg–Ca alloys accelerated with a neural network interatomic model.
8. Investigation of novel crystal structures of Bi–Sb binaries predicted using the minima hopping method.
9. Firefly Algorithm Applied to Noncollinear Magnetic Phase Materials Prediction.
10. A Machine-Driven Hunt for Global Reaction Coordinates of Azobenzene Photoisomerization.
11. Firefly Algorithm for Structural Search.
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