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
379 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
294 2007 Spectroscopic properties of oxygen vacancies in monoclinic D Muñoz Ramo, JL Gavartin, AL Shluger, G Bersuker
Physical Review B—Condensed Matter and Materials Physics 75 (20), 205336, 2007
274 2007 Theoretical Prediction of Intrinsic Self-Trapping of Electrons and Holes in Monoclinic D Muñoz Ramo, AL Shluger, JL Gavartin, G Bersuker
Physical review letters 99 (15), 155504, 2007
174 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
152 2004 Accurate Prediction of Large Antiferromagnetic Interactions in High- D Muñoz, F Illas, I de PR Moreira
Physical Review Letters 84 (7), 1579, 2000
132 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
126 2013 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
90 2002 B3LYP calculations of cerium oxides J Kullgren, CWM Castleton, C Müller, DM Ramo, K Hermansson
The Journal of chemical physics 132 (5), 2010
86 2010 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
80 2021 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
80 2007 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
69 2009 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
67 2019 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
55 2022 Oxygen vacancies in cubic 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 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
40 2021 Spin crossover in Fe2SiO4 liquid at high pressure DM Ramo, L Stixrude
Geophysical Research Letters 41 (13), 4512-4518, 2014
36 2014 Demonstrating Bayesian quantum phase estimation with quantum error detection K Yamamoto, S Duffield, Y Kikuchi, D Muñoz Ramo
Physical Review Research 6 (1), 013221, 2024
34 2024 Models of triplet self-trapped excitons in SiO D Muñoz Ramo, PV Sushko, AL Shluger
Physical Review B—Condensed Matter and Materials Physics 85 (2), 024120, 2012
33 2012