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Dimitrios A. Papaconstantopoulos

Affiliations: 
Computational and Data Sciences George Mason University, Washington, DC 
Area:
Density Functional Theory, Augmented Plane Wave, First-principles computations
Website:
http://cds.gmu.edu/node/36
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"Dimitrios Papaconstantopoulos"
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Parents

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Leo Pincherle grad student 1967 University of London

Children

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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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Publications

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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
Silayi S, Papaconstantopoulos DA, Mehl MJ. (2018) A tight-binding molecular dynamics study of the noble metals Cu, Ag and Au Computational Materials Science. 146: 278-286
Fan F, Papaconstantopoulos D, Mehl M, et al. (2016) High-temperature superconductivity at high pressures for H3Si P1−, H3P S1−, and H3Cl S1− Journal of Physics and Chemistry of Solids. 99: 105-110
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
Koufos AP, Papaconstantopoulos DA. (2015) Pressure-Induced Insulator to Metal Transition and Superconductivity of the Inert Gases Journal of Superconductivity and Novel Magnetism. 28: 3525-3533
Koufos AP, Papaconstantopoulos DA, Mehl MJ. (2014) First-principles study of the electronic structure of iron-selenium: Implications for electron-phonon superconductivity Physical Review B - Condensed Matter and Materials Physics. 89
McGrady JW, Papaconstantopoulos DA, Mehl MJ. (2014) Tight-Binding study of Boron structures Journal of Physics and Chemistry of Solids. 75: 1106-1112
Li J, Ciani A, Gayles J, et al. (2013) Non-orthogonal tight-binding model for tellurium and selenium Philosophical Magazine. 93: 3216-3230
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