Representing the thermal state in time-dependent density functional theory von Modine, N A, Hatcher, R M

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Bounds on the range of density-functional-theory point-defect levels in semiconductors and insulators von Modine, N.A., Wright, A.F., Lee, S.R.

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Migration processes of the As interstitial in GaAs von Wright, A. F., Modine, N. A.

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Bonding between graphene and MoS2 monolayers without and with Li intercalation von Ahmed, Towfiq, Modine, N. A., Zhu, Jian-Xin

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Accelerating finite-temperature Kohn-Sham density functional theory with deep neural networks von Ellis, J. A., Fiedler, L., Popoola, G. A., Modine, N. A., Stephens, J. A., Thompson, A. P., Cangi, A., Rajamanickam, S.

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OMVPE of GaAsSbN for long wavelength emission on GaAs von Peake, G.M., Waldrip, K.E., Hargett, T.W., Modine, N.A., Serkland, D.K.

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The optimized effective potential with finite temperature von Lippert, R A, Modine, N A, Wright, A F

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First-principles survey of the structure, formation energies, and transition levels of As-interstitial defects in InGaAs von Lee, S. R., Wright, A. F., Modine, N. A., Battaile, C. C., Foiles, S. M., Thomas, J. C., Van der Ven, A.

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Laser gain and threshold properties in compressive-strained and lattice-matched GaInNAs/GaAs quantum wells von Chow, W. W., Jones, E. D., Modine, N. A., Allerman, A. A., Kurtz, S. R.

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Highly nonlinear defect-induced carrier recombination rates in semiconductors von Modine, N. A., Armstrong, A. M., Crawford, M. H., Chow, W. W.

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Structure of III-Sb(001) growth surfaces: the role of heterodimers von Barvosa-Carter, W, Bracker, AS, Culbertson, JC, Nosho, BZ, Shanabrook, BV, Whitman, LJ, Kim, H, Modine, NA, Kaxiras, E

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Adaptive coordinate, real-space electronic structure calculations on parallel computers von Zumbach, Gil, Modine, N.A., Kaxiras, Efthimios

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Perturbation-induced compositional instability in epitaxial binary-alloy films von Lee, S R, Modine, N A

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Theory of the (3×2) reconstruction of the GaAs(001) surface von Modine, N.A, Kaxiras, Efthimios

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Application of the bounds-analysis approach to arsenic and gallium antisite defects in gallium arsenide von Wright, A. F., Modine, N. A.

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Representing the thermal state in time-dependent density functional theory von Modine, N. A., Hatcher, R. M.

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Electronic structure modeling of InAs/GaSb superlattices with hybrid density functional theory von Garwood, T., Modine, N.A., Krishna, S.

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Comparison of two methods for circumventing the Coulomb divergence in supercell calculations for charged point defects von Wright, A. F., Modine, N. A.

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Magnetoluminescence properties of GaAsSbN/GaAs quantum well structures von Senger, R. T., Bajaj, K. K., Jones, E. D., Modine, N. A., Waldrip, K. E., Jalali, F., Klem, J. F., Peake, G. M., Wei, X., Tozer, S. W.

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Highly nonlinear defect-induced carrier recombination rates in semiconductors von Modine, N. A., Armstrong, A. M., Crawford, M. H., Chow, W. W.

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