Dimitrios A. Papaconstantopoulos

Computational and Data Sciences George Mason University, Washington, DC 
Density Functional Theory, Augmented Plane Wave, First-principles computations
"Dimitrios Papaconstantopoulos"
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Ronald E Cohen grad student NRL (Chemistry Tree)
Lane W. Nixon grad student 2010 George Mason
Mir Mohammed Assadullah grad student 2007-2010 George Mason
Joel Durgavich grad student 2012 George Mason
Mazhalai Chellathurai grad student 2013 George Mason
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Chang P, Silayi S, Papaconstantopoulos D, et al. (2020) Pressure-induced high-temperature superconductivity in hypothetical H3X (X=As, Se, Br, Sb, Te and I) in the H3S structure with Im3¯m symmetry Journal of Physics and Chemistry of Solids. 139: 109315
Silayi S, Chang P, Papaconstantopoulos D. (2020) Electronic structure and dynamics analysis of the Cu-Ag binary alloy by a tight-binding parametrization Computational Materials Science. 173: 109454
Durgavich J, Sayed S, Papaconstantopoulos D. (2016) Extension of the NRL tight-binding method to include f orbitals and applications in Th, Ac, La and Yb Computational Materials Science. 112: 395-404
Papaconstantopoulos DA, Klein BM, Mehl MJ, et al. (2015) Cubic H3S around 200 GPa: An atomic hydrogen superconductor stabilized by sulfur Physical Review B - Condensed Matter and Materials Physics. 91
Li J, Ciani A, Gayles J, et al. (2013) Non-orthogonal tight-binding model for tellurium and selenium Philosophical Magazine. 93: 3216-3230
Sha XW, Economou EN, Papaconstantopoulos DA, et al. (2012) Possible molecular bottom-up approach to optical metamaterials Physical Review B - Condensed Matter and Materials Physics. 86
Sha XW, Papaconstantopoulos DA, Mehl MJ, et al. (2011) Tight-binding study of hcp Zn and Cd Physical Review B - Condensed Matter and Materials Physics. 84
Papaconstantopoulos DA, Mehl MJ, Johannes MD. (2010) Tight-binding Hamiltonian for LaOFeAs Physical Review B - Condensed Matter and Materials Physics. 82
Nixon LW, Papaconstantopoulos DA. (2010) Electronic structure and superconductivity of europium Physica C: Superconductivity and Its Applications. 470: 709-715
Lekka CE, Papaconstantopoulos DA, Mehl MJ, et al. (2009) Static and dynamic tight-binding simulations of the binary NbMo and CuZr alloys Journal of Alloys and Compounds. 483: 627-631
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