| QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo PRC Kent, A Annaberdiyev, A Benali, MC Bennett, EJ Landinez Borda, ... The Journal of chemical physics 152 (17), 2020 | 110 | 2020 |
| Oxygen diffusion pathways in brownmillerite SrCoO2. 5: Influence of structure and chemical potential C Mitra, T Meyer, HN Lee, FA Reboredo The Journal of chemical physics 141 (8), 2014 | 80 | 2014 |
| Excitons in the one-dimensional Hubbard model: A real-time study KA Al-Hassanieh, FA Reboredo, AE Feiguin, I González, E Dagotto Physical review letters 100 (16), 166403, 2008 | 71 | 2008 |
| crossover in the conduction-band minimum of Ge quantum dots FA Reboredo, A Zunger Physical Review B 62 (4), R2275, 2000 | 70 | 2000 |
| Pseudopotentials for quantum Monte Carlo studies of transition metal oxides JT Krogel, JA Santana, FA Reboredo Physical Review B 93 (7), 075143, 2016 | 68 | 2016 |
| Structural stability and defect energetics of ZnO from diffusion quantum Monte Carlo JA Santana, JT Krogel, J Kim, PRC Kent, FA Reboredo The Journal of chemical physics 142 (16), 2015 | 66 | 2015 |
| Crystal Synthesis and Frustrated Magnetism in Triangular Lattice CsRESe2 (RE = La–Lu): Quantum Spin Liquid Candidates CsCeSe2 and CsYbSe2 J Xing, LD Sanjeewa, J Kim, GR Stewart, MH Du, FA Reboredo, ... ACS Materials Letters 2 (1), 71-75, 2019 | 64 | 2019 |
| Surface-passivation-induced optical changes in Ge quantum dots FA Reboredo, A Zunger Physical Review B 63 (23), 235314, 2001 | 59 | 2001 |
| Magnetic and magnetocaloric properties of iron substituted holmium chromite and dysprosium chromite S Yin, V Sharma, A McDannald, FA Reboredo, M Jain RSC advances 6 (12), 9475-9483, 2016 | 54 | 2016 |
| Excitonic transitions and exchange splitting in Si quantum dots FA Reboredo, A Franceschetti, A Zunger Applied physics letters 75 (19), 2972-2974, 1999 | 54 | 1999 |
| Optically activated functionalization reactions in Si quantum dots FA Reboredo, E Schwegler, G Galli Journal of the American Chemical Society 125 (49), 15243-15249, 2003 | 52 | 2003 |
| Many-body ab initio diffusion quantum Monte Carlo applied to the strongly correlated oxide NiO C Mitra, JT Krogel, JA Santana, FA Reboredo The Journal of Chemical Physics 143 (16), 2015 | 50 | 2015 |
| Optimized nonorthogonal localized orbitals for linear scaling quantum Monte Carlo calculations FA Reboredo, AJ Williamson Physical Review B 71 (12), 121105, 2005 | 49 | 2005 |
| Many-body electronic structure and Kondo properties of cobalt-porphyrin molecules LGGV Dias da Silva, ML Tiago, SE Ulloa, FA Reboredo, E Dagotto Physical Review B—Condensed Matter and Materials Physics 80 (15), 155443, 2009 | 48 | 2009 |
| Diffusion quantum Monte Carlo study of the equation of state and point defects in aluminum RQ Hood, PRC Kent, FA Reboredo Physical Review B 85 (13), 134109, 2012 | 46 | 2012 |
| Cohesive energy and structural parameters of binary oxides of groups IIA and IIIB from diffusion quantum Monte Carlo JA Santana, JT Krogel, PRC Kent, FA Reboredo The Journal of chemical physics 144 (17), 2016 | 40 | 2016 |
| Self-healing diffusion quantum Monte Carlo algorithms: Direct reduction of the fermion sign error in electronic structure calculations FA Reboredo, RQ Hood, PRC Kent Physical Review B 79 (19), 195117, 2009 | 39 | 2009 |
| Systematic reduction of sign errors in many-body calculations of atoms and molecules M Bajdich, ML Tiago, RQ Hood, PRC Kent, FA Reboredo Physical Review Letters 104 (19), 193001, 2010 | 36 | 2010 |
| Quantum corral wave-function engineering AA Correa, FA Reboredo, CA Balseiro Physical Review B 71 (3), 035418, 2005 | 36 | 2005 |
| Two-dimensional hole gas in acceptor δ-doped GaAs FA Reboredo, CR Proetto Physical Review B 47 (8), 4655, 1993 | 33 | 1993 |
