Negative oxygen vacancies in HfO2 as charge traps in high-k stacks JL Gavartin, D Muñoz Ramo, AL Shluger, G Bersuker, BH Lee
Applied Physics Letters 89 (8), 2006
363 2006 Trapping, self-trapping and the polaron family AM Stoneham, J Gavartin, AL Shluger, AV Kimmel, DM Ramo, ...
Journal of Physics: Condensed Matter 19 (25), 255208, 2007
279 2007 Spectroscopic properties of oxygen vacancies in monoclinic calculated with periodic and embedded cluster density functional theory D Muñoz Ramo, JL Gavartin, AL Shluger, G Bersuker
Physical Review B—Condensed Matter and Materials Physics 75 (20), 205336, 2007
257 2007 Theoretical prediction of intrinsic self-trapping of electrons and holes in monoclinic HfO 2 DM Ramo, AL Shluger, JL Gavartin, G Bersuker
Physical review letters 99 (15), 155504, 2007
173 2007 Electronic and magnetic structure of LaMnO 3 from hybrid periodic density-functional theory D Munoz, NM Harrison, F Illas
Physical Review B 69 (8), 085115, 2004
151 2004 Accurate Prediction of Large Antiferromagnetic Interactions in High- ( ) Superconductor Parent Compounds D Muñoz, F Illas, I de PR Moreira
Physical Review Letters 84 (7), 1579, 2000
131 2000 First principles selection and design of mid-IR nonlinear optical halide crystals L Kang, DM Ramo, Z Lin, PD Bristowe, J Qin, C Chen
Journal of Materials Chemistry C 1 (44), 7363-7370, 2013
117 2013 B3LYP calculations of cerium oxides J Kullgren, CWM Castleton, C Müller, DM Ramo, K Hermansson
The Journal of chemical physics 132 (5), 2010
83 2010 Nanoporous Crystal 12CaO·7Al2 O3 : A Playground for Studies of Ultraviolet Optical Absorption of Negative Ions K Hayashi, PV Sushko, DM Ramo, AL Shluger, S Watauchi, I Tanaka, ...
The Journal of Physical Chemistry B 111 (8), 1946-1956, 2007
79 2007 Effective t-J model Hamiltonian parameters of monolayered cuprate superconductors from ab initio electronic structure calculations D Munoz, I de PR Moreira, F Illas
Physical Review B 65 (22), 224521, 2002
72 2002 Modelling of electron and hole trapping in oxides AL Shluger, KP Mckenna, PV Sushko, DM Ramo, AV Kimmel
Modelling and Simulation in Materials Science and Engineering 17 (8), 084004, 2009
65 2009 Evaluating the noise resilience of variational quantum algorithms E Fontana, N Fitzpatrick, DM Ramo, R Duncan, I Rungger
Physical Review A 104 (2), 022403, 2021
58 2021 Dynamical mean field theory algorithm and experiment on quantum computers I Rungger, N Fitzpatrick, H Chen, CH Alderete, H Apel, A Cowtan, ...
arXiv preprint arXiv:1910.04735, 2019
55 2019 Oxygen vacancies in cubic nanocrystals studied by an ab initio embedded cluster method D Muñoz Ramo, PV Sushko, JL Gavartin, AL Shluger
Physical Review B—Condensed Matter and Materials Physics 78 (23), 235432, 2008
48 2008 Putting error bars on the ab initio theoretical estimates of the magnetic coupling constants: The parent compounds of superconducting cuprates as a case study D Muñoz, C De Graaf, F Illas
Journal of computational chemistry 25 (10), 1234-1241, 2004
48 2004 Quantum computational quantification of protein–ligand interactions JJM Kirsopp, C Di Paola, DZ Manrique, M Krompiec, G Greene‐Diniz, ...
International Journal of Quantum Chemistry 122 (22), e26975, 2022
40 2022 Generalized unitary coupled cluster excitations for multireference molecular states optimized by the variational quantum eigensolver G Greene‐Diniz, D Muñoz Ramo
International Journal of Quantum Chemistry 121 (4), e26352, 2021
36 2021 Spin crossover in Fe2SiO4 liquid at high pressure DM Ramo, L Stixrude
Geophysical Research Letters 41 (13), 4512-4518, 2014
35 2014 Models of triplet self-trapped excitons in SiO , HfO , and HfSiO D Munoz Ramo, PV Sushko, AL Shluger
Physical Review B—Condensed Matter and Materials Physics 85 (2), 024120, 2012
33 2012 Momentum-space unitary coupled cluster and translational quantum subspace expansion for periodic systems on quantum computers DZ Manrique, IT Khan, K Yamamoto, V Wichitwechkarn, DM Ramo
arXiv preprint arXiv:2008.08694, 2020
28 2020