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 dotsFA 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 CsRE Se2 (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
65 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