
Title
Research Staff 
Email
aberg2@llnl.gov 
Phone
(925) 4230896 
Organization
Not Available
Research Interests
 Opacities of HED plasmas, lead developer of Opus, an LTE opacity code
 Ab initio calculations with applications in point defects and electron transport properties in semiconductors
 Optical properties of rareearth ions in host lattices
Ph.D., Physics, Uppsala University, Sweden, 2004
B.S., Physics, Mid Sweden University, Sweden, 1999
 K. Yang, Y. Cao, Y. Zhang, S. Fan, M. Tang, D. Åberg, B. Sadigh, and F. Zhou, "Selfsupervised learning and prediction of microstructure evolution with convolutional recurrent neural networks", Patterns 2, 100243 (2021)
 P. Grabowski, D. Åberg, D. Fenn, B. G. Wilson, C. A. Iglesias, M. E. Foord, M. K. G. Kruse, H. Le, P. Minner, and M. Patel, "Opactity table generation", LLNLTR822774 (2021)
 C. Linderälv, D. Åberg, and P. Erhart, "Luminescence quenching via deep defect states: A recombination pathway via oxygen vacancies in Cedoped YAG", Chem. Mater. 33, 73 (2020)
 J. Nilsen, D. Åberg, H. D. Whitley, B. G. Wilson, L. H. Yang, P. A. Sterne, M. W. Däne, M. E. Martin, S. Zhang, and W. R. Johnson, "Role of opacity at the 9 keV back lighter energy used in measuring the equation of state of boron at pressures up to a Gbar", High Energy Density Phys. 37, 100880 (2020)
 D. Åberg, D. Fenn, M. E. Foord, P. E. Grabowski, C. A. Iglesias, M. K. G. Kruse, and B. G. Wilson, "The Opus radiative opacity code, a new implementation of the supertransition array method", LLNLTR813832 (2020)
 F. Zhou, B. Sadigh, D. Åberg, Y. Xia, and V. Ozolins, "Compressive sensing lattice dynamics. II. Efficient phonon calculations and longrange interactions", Phys. Rev. B 100, 184309 (2019)
 A. Landa, P. Söderlind, D. Parker, D. Åberg, V. Lordi, A. Perron, P. E. A. Turchi, R. K. Chouhan, D. Paudyal, and Thomas A Lograsso, "Thermodynamics of SmCo_{5} compound doped with Fe and Ni: An ab initio study", J. Alloys Compd. 765, 659 (2018)
 R. A. Osborne, N. J. Cherepy, D. Åberg, F, Zhou, Z. M. Seeley, S. A. Payne, A. D. Drobshoff, H. A. Comanzo, and A. M. Srivastava, "Ba_{1−}_{x} Sr_{x}Mg_{3}SiN_{4}: Eu narrowband red phosphor", Opt. Mater. 84, 130 (2018)
 P. Söderlind, A. Landa, I. Locht, D. Åberg, Y. Kvashnin, M. Pereiro, M. Däne, P. E. A. Turchi, V. P. Antropov, and O. Eriksson, "Prediction of the new efficient permanent magnet SmCoNiFe_{3}", Phys. Rev. B 96, 100404 (2017)
 A. Schleife, X. Zhang, Q. Li, P. Erhart, and D. Åberg, "Excitons in scintillator materials: Optical properties and electronenergy loss spectra of NaI, LaBr_{3}, BaI_{2}, and SrI_{2}", J. Mater. Res. 32, 56 (2017)
 K. S. Holliday, T. A. Kohlgruber, I. C. Tran, D. Åberg, Z. M. Seeley, M. BaggeHansen, A. M. Srivastava, N. J. Cherepy, and S. A. Payne, "Increased fluorescence intensity in CaTiO_{3}: Pr^{3+} phosphor due to NH_{3} treatment and Nb Codoping", Opt. Mater. 60, 359 (2016)
 F. Zhou, B. Sadigh, P. Erhart, and D. Åberg, "Ab initio prediction of fast nonequilibriumtransport of nascent polarons in SrI_{2}: a key to highperformance scintillation", NPJ Comp. Mat. 2, 1 (2016)
 K. E. Kweon , D. Åberg, and V. Lordi, "Firstprinciples study of atomic and electronic structures of 60^{◦} perfect and 30^{◦}/90^{◦} partial glide dislocations in CdTe", Phys. Rev. B 93, 174109 (2016)
 F. Zhou and D. Åberg, "Crystalfield calculations for transitionmetal ions by application of an opposing potential", Phys. Rev. B 93, 085123 (2016)
 N. J. Cherepy, S. A. Payne, N. M. Harvey, D. Åberg, Z. M. Seeley, K. S. Holliday, I. C. Tran, F. Zhou, H. P. Martinez, J. M. Demeyer, A. D. Drobshoff, A. M. Srivastava, S. J. Camardello, H. A. Comanzo, D. L. Schlagel, and T. A. Lograsso, "Redemitting manganesedoped aluminum nitride phosphor", Opt. Mater. 54, 14 (2016)
 B. Sadigh, P. Erhart, and D. Åberg, "Variational polaron selfinteractioncorrected totalenergy functional for charge excitations in insulators", Phys. Rev. B 92, 075202 (2015)
 M. Däne, S.K. Kim. M. P. Surh, D. Åberg, and L. X. Benedict, "Density functional theory calculations of magnetocrystalline anisotropy energies for (Fe_{1–x}Co_{x})2B", J. Phys. Condens. Matter 27, 266002 (2015)
 J. C. Crowhurst, J. R. Jeffries, D. Åberg, J. M. Zaug, W. J. Siekhaus, K. S. Holiday, K. B. Knight, A. J. Nelson, and I. D. Hutcheon, "A combined theoretical and experimental investigation of uranium dioxide under high static pressure", J. Phys. Condens. Matter 27, 265401 (2015)
 S.W. Yu, M. H. Carpenter, F. Ponce, S. Friedrich, J.S. Lee, P. OlaldeVelasco, W. L. Yang and D. Åberg, "Energy levels of the Ce activator relative to the YAP(Ce) scintillator host", J. Phys. Condens. Matter 27, 185501 (2015)
 P. Erhart, B. Sadigh, A. Schleife, and D. Åberg, "Firstprinciples study of codoping in lanthanum bromide", Phys. Rev. B 91, 165206 (2015)
 A. McAllister, D. Åberg, A. Schleife, E. Kioupakis, "Auger recombination in sodiumiodide scintillators from first principles", Appl. Phys. Lett. 106, 141901 (2015)
 D. Åberg, B. Sadigh, A. Schleife, and P. Erhart, “Origin of resolution enhancement by codoping of scintil lators: Insight from electronic structure calculations”, Appl. Phys. Lett. 104, 211908 (2014)
 V. Antropov, L. Ke, and D. Åberg, “Constituents of magnetic anisotropy and a screening of spinorbit coupling in solids”, Solid. State. Commun. 194, 35 (2014)
 P. Erhart, A. Klein, D. Åberg, and B. Sadigh, “Efficacy of the DFT + U formalism for modeling hole polarons in perovskite oxides”, Phys. Rev. B 90, 035204 (2014)
 P. Erhart, A. Schleife, B. Sadigh, and D. Åberg, “Quasiparticle spectra, absorption spectra, and excitonic properties of NaI and SrI2 from manybody perturbation theory”, Phys. Rev. B 89, 075132 (2014)
 D. Åberg, P. Erhart, and V. Lordi, “Contributions of point defects, chemical disorder, and thermal vibrations to electronic properties of Cd_{1−x}Zn_{x}Te alloys”, Phys. Rev. B 88, 045201 (2013)
 Q. Li, R. T. Williams, and D. Åberg, “First principles calculations and experiment predictions for iodine vacancy in SrI_{2}", Phys. Status Solidi 250, 233 (2013)
 D. Åberg, B. Sadigh, and P. Erhart, “Electronic structure of LaBr3 from quasiparticle selfconsistent GW calculations”, Phys. Rev. B 85, 125134 (2012)
 B. Sadigh, P. Erhart, D. Åberg, A. Trave, E. Schwegler, and J. Bude, “Firstprinciples calculations of the Urbach tail in the optical absorption spectra of silica glass”, Phys. Rev. Lett. 106, 027401 (2011)
 X. Y. Wang, Y. M. Wang, D. Åberg, P. Erhart, N. Misra, A. Noy A, A. V. Hamza, and J.H. Yang, “Batteryless chemical detection with semiconductor nanowires”, Adv. Mater. 23, 117 (2011)
 P. Erhart, D. Åberg, B. W. Sturm, K.J. Wu, and V. Lordi, “Theoryguided growth of aluminum antimonide single crystals with optimal properties for radiation detection", Appl. Phys. Lett. 97, 142104 (2010)
 D. Åberg, P. Erhart, J. Crowhurst, J. M. Zaug, A. F. Goncharov, and B. Sadigh, “Pressureinduced phase transition in the electronic structure of palladium nitride”, Phys. Rev. B 82, 104116 (2010)
 P. Erhart, D. Åberg, and V. Lordi, “Extrinsic point defects in aluminum antimonide”, Phys. Rev. B 81, 195216 (2010)
 V. Lordi, P. Erhart, and D. Åberg, “Charge carrier scattering by defects in semiconductors”, Phys. Rev. B 81, 235204 (2010)
 J. Crowhurst, A. Goncharov, B. Sadigh, J. M. Zaug, D. Åberg, Y. Meng, and V. Prakapenka, “Synthesis and characterization of nitrides of iridium and palladium”, J. Mater. Res. 23, 1 (2008)
 D. Åberg, B. Sadigh, J. Crowhurst, and A. F. Goncharov, “Thermodynamic ground states of platinum metal nitrides”, Phys. Rev. Lett. 100, 095501 (2008)
 D. Åberg, P. Erhart, A. J. Williamson, and V. Lordi, “Intrinsic point defects in aluminum antimonide”, Phys. Rev. B 77, 165206 (2008)
 M. Engholm, L. Norin, and D. Åberg, “Strong UV absorption and visible luminescence in ytterbiumdoped aluminosilicate glass under UV excitation”, Opt. Lett. 32, 3352 (2007)
 S. Edvardsson, L. Nixin, and D. Åberg, ”The connection between the dynamic intensity model and the vibronic intensity model for ff transitions”, J. Phys. B: At., Mol. Opt. Phys. 39, 2127 (2006)
 L. X. Nixin, S. Edvardsson, and D. Åberg, ”Dynamic intensity model calculation of vibronic oscillator strengths for Cs_{2}NaNdCl_{6}: A molecular dynamics study”, J. Phys. Chem. B 110, 21424 (2006)
 O. Wessely, P. Roy, and D. Åberg et al., ”Final state effects in the Xray absorption spectra of La_{0.7}Sr_{0.3}MnO_{3}”, J. Magn. Magn. Mater. 272, 1780 (2004)
 M. ColarietiTosti, S. I. Simak, R. Ahuja, L. Nordström, O. Eriksson, D. Åberg et al., ”Origin of magnetic anisotropy of Gd metal”, Phys. Rev. Lett. 91, 157201 (2003)
 D. Åberg, S. Edvardsson, and M. Engholm, ”Direct calculation of correlated absorption amplitudes for Nd:LiYF_{4}”, Phys. Rev. B 68, 195105 (2003)
 O. Wessely, P. Roy, and D. Åberg et al., ”Initial and final state effects in the xray absorption process of La_{1x}Sr_{x} MnO_{3}”, Phys. Rev. B 68, 235109 (2003)
 D. Åberg and S. Edvardsson, “Direct calculation of optical absorption amplitudes for trivalent rareearth ions in LiYF_{4}”, Phys. Rev. B 65, 04511 (2002)
 D. Åberg and S. Edvardsson, “The crystal dependent openshell polarizability of felements: higher order contributions”, J. Alloys Compd. 303, 345 (2000)
 S. Edvardsson and D. Åberg, “The energy matrix using determinantal product states applied to Ho:YAG”, J. Alloys Compd. 303, 280 (2000)
Published Computer Programs
 S. Edvardsson, D. Åberg, and P. Uddholm, ”A program for accurate solutions of twoelectron atoms”, Comput. Phys. Commun. 165, 260 (2005)
 S. Edvardsson and D. Åberg, “An atomic program for energy levels of equivalent electrons: lanthanides and actinides”, Comput. Phys. Commun. 133, 396 (2001)