| Machine-learning prediction of CO adsorption in thiolated, Ag-alloyed Au nanoclusters G Panapitiya, G Avendaño-Franco, P Ren, X Wen, Y Li, JP Lewis Journal of the American Chemical Society 140 (50), 17508-17514, 2018 | 126 | 2018 |
| Firefly algorithm for structural search G Avendaño-Franco, AH Romero Journal of Chemical Theory and Computation 12 (7), 3416-3428, 2016 | 51 | 2016 |
| A machine-driven hunt for global reaction coordinates of azobenzene photoisomerization P Tavadze, G Avendaño Franco, P Ren, X Wen, Y Li, JP Lewis Journal of the American Chemical Society 140 (1), 285-290, 2018 | 47 | 2018 |
| 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 O Pavlic, W Ibarra-Hernandez, I Valencia-Jaime, S Singh, ... Journal of Alloys and Compounds 691, 15-25, 2017 | 46 | 2017 |
| Investigation of novel crystal structures of Bi–Sb binaries predicted using the minima hopping method S Singh, W Ibarra-Hernández, I Valencia-Jaime, G Avendaño-Franco, ... Physical Chemistry Chemical Physics 18 (43), 29771-29785, 2016 | 40 | 2016 |
| Time-dependent density functional theory study of charge transfer in collisions G Avendaño-Franco, B Piraux, M Grüning, X Gonze Theoretical Chemistry in Belgium: A Topical Collection from Theoretical …, 2014 | 29 | 2014 |
| Structural search for stable Mg–Ca alloys accelerated with a neural network interatomic model W Ibarra-Hernández, S Hajinazar, G Avendaño-Franco, ... Physical Chemistry Chemical Physics 20 (43), 27545-27557, 2018 | 23 | 2018 |
| Exploring DFT+U parameter space with a Bayesian calibration assisted by Markov chain Monte Carlo sampling P Tavadze, R Boucher, G Avendaño-Franco, KX Kocan, S Singh, ... npj Computational Materials 7 (1), 182, 2021 | 11 | 2021 |
| Firefly algorithm applied to noncollinear magnetic phase materials prediction A Payne, G Avendano-Franco, E Bousquet, AH Romero Journal of Chemical Theory and Computation 14 (8), 4455-4466, 2018 | 11 | 2018 |
| Interstellar condensed (icy) amino acids and precursors: theoretical absorption and circular dichroism under UV and soft X-ray irradiation F Da Pieve, G Avendano-Franco, F De Proft, P Geerlings Monthly Notices of the Royal Astronomical Society 440 (1), 494-503, 2014 | 8 | 2014 |
| Updates and improvements to the satellite drag coefficient Response Surface Modeling toolkit PL Sheridan, SN Paul, G Avendano-Franco, PM Mehta Advances in Space Research 69 (10), 3828-3846, 2022 | 7 | 2022 |
| Optimizing the orbital occupation in the multiple minima problem of magnetic materials from the metaheuristic firefly algorithm A Payne, G Avedaño-Franco, X He, E Bousquet, AH Romero Physical Chemistry Chemical Physics 21 (39), 21932-21941, 2019 | 7 | 2019 |
| Higher Landau levels contribution to the energy of interacting electrons in a quantum dot A Gonzalez, JD Serna, R Capote, G Avendaño Physica E: Low-dimensional Systems and Nanostructures 30 (1-2), 134-137, 2005 | 6 | 2005 |
| Exploring DFT+ U parameter space with a Bayesian calibration assisted by Markov chain Monte Carlo sampling. npj Comput P Tavadze, R Boucher, G Avendaño-Franco, KX Kocan, S Singh, ... Mater 7, 182, 2021 | 5 | 2021 |
| Structural and electronic properties of Fe-doped silver delafossites: AgAl1− xFexO2 and AgGa1− xFexO2 (x= 1–5%) G Panapitiya, G Avendaño-Franco, JP Lewis Computational Materials Science 170, 109173, 2019 | 3 | 2019 |
| Charge transfer processes in atomic collisions from first principles G Avendaño Franco Dissertation for the Doctoral Degree. Louvain-la-Neuve: Université …, 2013 | 2 | 2013 |
| Firefly Algorithm Applied to Non-collinear Magnetic Materials Prediction A Payne, G Avendaño-Franco, E Bousquet, A Romero Bulletin of the American Physical Society 63, 2018 | | 2018 |
| A machine-driven hunt for global reaction coordinates of azobenzene photoisomerization J Lewis, P Tavadze, P Ren, X Wen, Y Li APS March Meeting Abstracts 2018, X34. 012, 2018 | | 2018 |
| Computational Discovery of Materials Using the Firefly Algorithm G Avendaño-Franco, A Romero APS March Meeting Abstracts 2016, K23. 009, 2016 | | 2016 |
| Ti-Ni Crystal Structure Prediction by Minima Hopping Method A Payne, I Valencia-Jaime, G Avendaño-Franco, R Arroyave, A Romero Bulletin of the American Physical Society 60, 2015 | | 2015 |
Aldo Humberto RomeroWest Virginia UniversityVerified email at mail.wvu.edu
