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\begin{itemize}
\section*{Papers}

\subsection*{International Journals}

\item[1] ``First-Principles Study of the Formation and Stability of the Interstitial and Substitutional Hydrogen Impurity in Magnesium Oxide'', Marinopoulos, A.\,G., Condens. Matter {\bf 11(1)}, 2 (2026).

\item[2] ``Hydrogen trapping and passivation of intrinsic acceptor defects in the CuInSe2 chalcopyrite'', A.\,G. Marinopoulos, R.\,C. Vilao, Phys. Rev. Mater. {\bf 10(5)}, 054603 (2026).

\item[3] ``Muonium reaction in La2O3: Investigation of the last steps in muon implantation'', CMS Santos, AG Marinopoulos, JM Gil, R.\,C. Vilao, A Weidinger, T. Prokscha, Phys. Rev. B {\bf 114(4)}, 045205 (2026).

\item[4] ``Intrinsic defect model of paratellurite (α-TeO2) based on the charge neutrality condition and density-functional calculations'', Marinopoulos, A.\,G., J. Phys. Condens. Matter {\bf 37(49)}, 495501 (2025).

\item[5] ``Ab initio computational study of hydration thermodynamics in cubic yttria-stabilized zirconia'', Marinopoulos, A.\,G., Model. Simul. Mater. Sci. Eng. {\bf 33(2)}, 025002 (2025).

\item[6] ``Muonium reaction in MgO: A showcase for the final steps of ion implantation'', R.\,C. Vilao, A. Roonkiani, A.\,G. Marinopoulos, H.\,V. Alberto, J.\,M. Gil, R.\,B.\,L. Vieira, R. Scheuermann, A. Weidinger, SciPost Phys. Core. {\bf 8(3)}, 056 (2025).

\item[7] ``Band offsets and point-defect charges of the aluminum and hafnium oxides in contact with the Cu(In,Ga)Se2 chalcopyrite'', A.\,G. Marinopoulos, J. Phys.: Condens. Matter {\bf 36}, 035702 (2024).

\item[8] ``Dielectric Response of Yttria-Zirconia Ordered Solids Within Density-Functional Theory in the Random-Phase Approximation'', Marinopoulos, A.\,G., Condens. Matter {\bf 9(4)}, 54 (2024).

\item[9] ``Local Environment and Migration Paths of the Proton Defect in Yttria-Stabilized Zirconia Studied by Ab Initio Calculations and Muon-Spin Spectroscopy'', AG Marinopoulos, RC Vilao, HV Alberto, JM Gil, RBL Vieira, JS Lord, Hydrogen {\bf 5(3)}, 374-386 (2024).

\item[10] ``Investigation of the solar cell materials Cu(In,Ga)Se2 and Cu2ZnSnS4 with muon spin spectroscopy and density-functional calculations'', RC Vilao, AG Marinopoulos, DG Santos, HV Alberto, JM Gil, PW Mengyan, M Kauk-Kuusik, JS Lord, A Weidinger, J. Appl. Phys. {\bf 136(5)}, 055704 (2024).

\item[11] ``Interaction of hydrogen with aluminum vacancies in the Y3Al5O12 garnet and effects on positron trapping'', Marinopoulos, AG, Eur. Phys. J. B {\bf 96 (6)}, 76 (2023).

\item[12] ``Understanding the magnetic dynamics and magnetostructural coupling in the paramagnetic phase of TbMnO3 by muon-spin spectroscopy'', R Vilarinho, RC Vilao, H Alberto, AG Marinopoulos, JM Gil, H Luetkens, Z Guguchia, M Mihalik, M Mihalik Jr, JA Moreira, Phys. Rev. B {\bf 108 (17)}, 174401 (2023).

\item[13] ``Interaction of hydrogen impurities with intrinsic point defects at the CuInSe2/CdS interface of chalcopyrite-based solar cells'', Marinopoulos, AG, Eur. Phys. J. B {\bf 95(1)} (2022).

\item[14] ``Binding and energetics of oxygen at the CuInSe2 chalcopyrite and the CuInSe2/CdS interface'', Marinopoulos, AG, Phys. Scr. {\bf 97(5)}, 055810 (2022).

\item[15] ``Hydrogen states in mixed-cation CuIn(1-x)GaxSe2 chalcopyrite alloys: a combined study by first-principles density-functional calculations and muon-spin spectroscopy'', AG Marinopoulos, RC Vilao, HV Alberto, EFM Ribeiro, JM Gil, PW Mengyan, MR Goeks, Kauk-Kuusik, JS Lord, Philos. Mag. {\bf 101(22)}, 2412-2434 (2021).

\item[16] ``Sapphire alpha-Al2O3 puzzle: Joint mu SR and density functional theory study'', RC Vilao, AG Marinopoulos, HV Alberto, JM Gil, JS Lord, A Weidinger, Phys. Rev. B {\bf 103(12)}, 125202 (2021).

\item[17] ``Zr vacancies and their complexes with hydrogen in monoclinic zirconia: formation energies and positron lifetimes'', AG Marinopoulos, PM Gordo, Phys. Scr. {\bf 95(3)}, 035801 (2020).

\item[18] ``First-principles study of the formation energies and positron lifetimes of vacancies in the Yttrium-Aluminum Garnet Y3Al5O12'', A.\,G. Marinopoulos, Eur. Phys. Journal B {\bf 92(242)} (2019).

\item[19] ``Positron lifetimes of bare and hydrogenated zirconium vacancies in cubic yttria- stabilized zirconia: an ab initio study'', Marinopoulos, AG, J. Phys. Condens. Matter {\bf 31}, 315503 (2019).

\item[20] ``Electronic structure and migration of interstitial hydrogen in the rutile phase of TiO2'', AG Marinopoulos, RC Vilao, HV Alberto, JM Gil, Journal of Physics: Condensed Matter {\bf 30}, 425503 (2018).

\item[21] ``Protons in cubic yttria-stabilized zirconia: Binding sites and migration pathways'', Marinopoulos, AG, Solid State Ionics {\bf 315}, 116-125 (2018).

\item[22] ``Defect levels and hyperfine constants of hydrogen in beryllium oxide from hybrid-functional calculations and muonium spectroscopy'', AG Marinopoulos, RC Vilão, RBL Vieira, HV Alberto, JM Gil, MV Yakushev, R Scheuermann, T Goko, Philosophical Magazine {\bf 97}, 2108-2128 (2017).

\item[23] ``Recombination via transition metals in solar silicon : the significance of hydrogen-metal reactions and lattice sites of metal atoms'', J. Mullins, S. Leonard, V.\,P. Markevich, I.\,D. Hawkins, P. Santos, J. Coutinho, A.\,G. Marinopoulos, J.\,D. Murphy, M.\,P. Halsall, A.\,R. Peaker, Phys. Status Solidi (A) Applications and Materials {\bf 214(7)}, 1700304 (2017).

\item[24] ``Isolated hydrogen configurations in zirconia as seen by muon spin spectroscopy
and ab initio calculations'', R. B. L. Vieira, R. C. Vilão, A.\,G. Marinopoulos, P. M. Gordo, J. A. Paixão, H. V. Alberto, J. M. Gil, A. Weidinger, R. L. Lichti, B. Baker, P. W. Mengyan:  J. S. Lord, Phys. Rev. B {\bf 94}, 115207(1)-115207(11) (2016).

\item[25] ``Electronic structure of interstitial hydrogen in lutetium oxide from DFT plus U calculations and comparison study with mu SR spectroscopy'', EL da Silva, AG Marinopoulos, RBL Vieira, RC Vilao, HV Alberto, JM Gil, RL Lichti, PW Mengyan, BB Baker, Phys. Rev. B {\bf 94(1)}, 014104 (2016).

\item[26] ``DFT+U study of electrical levels and migration barriers of early 3d and 4d transition metals in silicon'', A.\,G. Marinopoulos, P. Santos and J. Coutinho, Phys. Rev. B {\bf 92(242)}, 075124 (2015).

\item[27] ``First-principles study of hydrogen
configurations at the core of a high-angle grain boundary in
cubic yttria-stabilized zirconia'', A.\,G. Marinopoulos, J. Phys.: Condens. Matter {\bf 26(2)}, 025502 (2014).

\item[28] ``Titanium in Silicon: Lattice positions and electronic properties'', V. P. Markevich, S. Leonard, A.\,R. Peaker, B. Hamilton, A.\,G. Marinopoulos, J. Coutinho,  {\bf Appl. Phys. Lett.}, 152105 (2014).

\item[29] ``Incorporation and migration of hydrogen in yttria-stabilized cubic zirconia: Insights from semilocal and hybrid-functional calculations'', A.\,G. Marinopoulos, Phys. Rev. B {\bf 86}, 155144 (2012).

\item[30] ``Hydrogen impurity in yttria: Ab initio and muSR perspectives'', E.\,L. Silva, A.\,G. Marinopoulos et al., Phys. Rev. B {\bf 85}, 165211 (2012).

\item[31] ``Incorporation and migration of hydrogen in
yttria-stabilized cubic zirconia: Insights from semilocal and
hybrid-functional calculations'', Marinopoulos, A. G., PHYSICAL REVIEW B {\bf 86}, 155144 (2012).

\item[32] ``Hydrogen impurity
in yttria: Ab initio and mu SR perspectives'', E. L Silva, A. G. Marinopoulos, R. C. Vilao, R. B. L. Vieira, H. V. Alberto, J. Piroto Duarte, J. M. Gil, PHYSICAL REVIEW B {\bf 85}, 165211 (2012).

\item[33] ``First-principles study of segregation to the
Sigma 5(310) grain boundary of cubic zirconia'', A.\,G. Marinopoulos, J. Phys.: Condens. Matter {\bf 23(8)}, 085005 (2011).

\item[34] ``Local-field and excitonic effects in the optical response of α-alumina'', A.\,G. Marinopoulos, M. Grüning, Phys. Rev. B {\bf 83}, 195129 (2011).

\item[35] ``Seeing inside materials by aberration-corrected electron
microscopy'', S. J. Pennycook, K. van Benthem, A. G. Marinopoulos, S-H. Oh, S. I. Molina, A. Y. Borisevich, W. Luo, S. T. Pantelides, INTERNATIONAL JOURNAL OF NANOTECHNOLOGY {\bf 8(10-12)}, 935-947 (2011).

\item[36] ``Hydrogen impurity in paratellurite (alpha-TeO2): Muon-spin rotation and ab-initio study'', R. C. Vilão, A.\,G. Marinopoulos, R. B. L. Vieira, A. Weidinger, H. V. Alberto, J. Piroto Duarte, J. M. Gil, J. S. Lord and S. F. J. Cox, Phys. Rev. B {\bf 84(4)}, 045201 (2011).

\item[37] ``Seeing inside materials by aberration-corrected electron microscopy'', S.\,J. Pennycook, K. Van Benthem, A.\,G. Marinopoulos, S-H. Oh, S.\,I. Molina, A.\,Y. Borisevich, W. Luo, S.\,T. Pantelides, Int. J. Nanotechnology {\bf 8}, 935-947 (2011).

\section*{Communications}

\subsection*{Invited}

\item[38] ``Muonium formation in insulators and semiconductors'', RC Vilão, AG Marinopoulos, PJR Pires, SSS Santos, EFM_Ribeiro, HV Alberto, JM Gil, A Weidinger JS Lord, NEMPO- Neutron and Muon Users in Portugal,, 7th workshop (remote meeting) {\bf 29/1/2021} (2021).

\item[39] ``First-principles study of interstitial hydrogen in yttria-stabilized zirconia'', A.\,G. Marinopoulos, Special meeting of Integrated Infrastructure Initiative for Neutron Scattering and Muon Spectroscopy (NMI3). Techniques for Calculation of the Muon Site - 20th April 2012. ISIS Laboratory, Rutherford, UK. (2012).

\subsection*{Oral}

\item[40] ``Understanding proton introduction and migration in yttria-stabilized zirconia from density-functional calculations and muon-spin spectroscopy'', A.\,G. Marinopoulos, XXV Meeting of the Portuguese Electrochemical Society, August 30 - September 1, 2023, Coimbra, Portugal (2023).

\item[41] ``First-principles modelling of hydrogen at the absorber-buffer interface in CuInSe2-based solar cells'', A.\,G. Marinopoulos, Symposium K: Thin Film Chalcogenide Photovoltaic Materials. E-MRS 2022 Spring Meeting, May 30 - June 3, 2022 (2022).

\item[42] ``Electrical levels and diffusion barriers of early 3d and 4d transition metals in silicon'', A.\,G. Marinopoulos, Conference in Gettering and Defect Engineering in Semiconductor Technology, GADEST 2015. 20-25 September 2015, Bad Staffelstein, Germany (2015).

\item[43] ``Hydrogen configurations at a high-angle grain boundary in yttria-stabilized zirconia'', A.\,G. Marinopoulos, American Physical Society March Meeting 2013. Baltimore, USA. (2013).

\item[44] ``First-principles study of interstitial hydrogen in yttria-stabilized zirconia'', A.\,G. Marinopoulos, American Physical Society March Meeting 2012. Boston, USA. (2012).

\item[45] ``Cation segregation and hydrogen trapping in the Σ5(310) grain boundary of zirconia'', A.\,G. Marinopoulos, European Materials Research Society (E-MRS) Spring Meeting. May 09-13, 2011. Nice, France. (2011).

\item[46] ``Excitonic and local field effects in the optical response of Alumina'', Myrta Grüning, A.\,G. Marinopoulos, DFT@PT,  February 4, Coimbra, Portugal (2011).

\item[47] ``Hydrogen impurity in paratellurite (alpha-TeO2): muSR and ab-initio study'', R.\,C. Vilão*, A.\,G. Marinopoulos, R.\,B.\,L. Vieira, A. Weidinger, J.\,M. Gil, H.\,V. Alberto, J. Piroto Duarte, J.\,S. Lord and S. F. J. Cox,  (2011).

\subsection*{Poster}

\item[48] ``Lattice positions and electronic properties of Titanium in Silicon'', A.\,G. Marinopoulos, EU PVSEC 2014. 29th European PV Solar Energy Conference and Exhibition. 22-26 September 2014, Amsterdam, The Netherlands. (2014).

\item[49] ``Hydrogen in TeO2: a muSR and computational study'', R.\,C. Vilão, A. Marinopoulos, J. M. Gil, J. Piroto Duarte, H. V. Alberto, A. Weidinger,  (2010).

\section*{Other}

\item[50] ``Member of the Editorial Board of Condensed Matter'', A.\,G. Marinopoulos,  (2026).

\end{itemize}
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