Marco Di Gennaro

AI Strategist, Nanomaterials Expert, Quantum Physicist

Marco Di Gennaro

AI Strategist, Nanomaterials Expert, Quantum Physicist

Publications

Journal Articles

  1. When Corporate Chatbots Show Bias: A Multi-Dimensional Analysis of LLMs in Enterprise Settings
    S. Bhattacharya, V. Hagenow, M. Di Gennaro
    preprint – [PDF]
  2. Corrigendum: Ab Initio Calculation of Thermoelectric Properties in 3d Ferromagnets Based on Spin-Dependent Electron–Phonon Coupling
    X. Ma, M. Di Gennaro, M. Giantomassi, M.J. Verstraete, B. Xu
    New Journal of Physics, 26(11), 119501 (2024) – [PDF]

  3. Ab Initio Calculation of Thermoelectric Properties in 3d Ferromagnets Based on Spin-Dependent Electron–Phonon Coupling
    X. Ma, M. Di Gennaro, M. Giantomassi, M.J. Verstraete, B. Xu
    New Journal of Physics, 25(4), 043022 (2023) – [PDF]

  4. 1,2,3-Trimethoxypropane: a bio-sourced glyme as electrolyte for lithium–O2 batteries
    M. Alvarez-Tirado, L. Castro, S. Qian, J. E. Bara, M. Di Gennaro, K. Gkagkas,  A. Guéguen and D. Mecerreyes
    Green Chemistry 24 (15), 6016-6025 – [PDF]

  5. A Combination of Multi-Scale Calculations with Machine Learning for Investigating Hydrogen Storage in Metal Organic Frameworks
    R.M. Giappa, E. Tylianakis, M. Di Gennaro, K. Gkagkas, G.E. Froudakis
    International Journal of Hydrogen Energy, 46(54), 27612–27621 (2021) –  [PDF]

  6. Thermoelectric Properties of Elemental Metals from First-Principles Electron-Phonon Coupling
    B. Xu, M. Di Gennaro, M.J. Verstraete
    Physical Review B, 102, 155128 (2020) – [PDF]

  7. Physics-driven prediction of ab-initio contact area in ionic systems
    M. Di Gennaro, S. K. Fecskeb, K. Gkagkas, C. Gachotc, A. Vernes
    unpublished [PDF]

  8. Competition of Lattice and Spin Excitations in the Temperature Dependence of Spin-Wave Properties
    M. Di Gennaro, A.L. Miranda, T.A. Ostler, A.H. Romero, M.J. Verstraete
    Physical Review B, 97, 214417 (2018) – [PDF]

  9. Recent developments in the ABINIT software package
    X. Gonzea, F. Jollet , et al.,
    Computer Physics Communications, 205, 106-131 (2016) – [PDF]
  10. Magnon vs Phonon effects in electrical transport
    M. Di Gennaro, B. Xu,  M.J. Verstraete
    unpublished [PDF]

  11. Role of Dynamical Instability in the Ab Initio Phase Diagram of Calcium
    M. Di Gennaro, S.K. Saha, M.J. Verstraete
    Physical Review Letters, 111, 025503 (2013) – [PDF]

Doctoral Thesis

  • Ab-Initio Calculation of Spin-Dependent Transport Quantities in Disordered Materials

    Marco Di Gennaro

    Université de Liège, 2015

Conference Contributions

  1. Ab-initio contact area between ions
    M. Di Gennaro1, K. Gkagkas2 and A. Verne
    The 9th Tribochemistry Satellite Forum

  2. Competition of Phonon and Magnon Effects in the Temperature Dependence of Spin-Wave Stiffness
    T. Ostler, M. Verstraete, M. Di Gennaro, A. Miranda, A. Romero
    21st ETSF Conference on Electronic Excitations, 2016

  3. Boltzmann Transport Calculations in Systems with Electron-Phonon Coupling
    N. Pike, A. Dewandre, M. Di Gennaro, M. Verstraete
    13th Annual ETSF Young Researchers Meeting, London, 2016

  4. Coupling the Electron and Phonon Baths via the Boltzmann Transport Equations
    N. Pike, A. Dewandre, M. Di Gennaro, M. Verstraete
    WE-Heraeus Seminar on Electrons and Phonons: Interfaces and Interactions, Bad Honnef, 2016

  5. Electron Transport Calculations and Thermoelectric Coefficients of Doped InSb
    N. Pike, M. Di Gennaro, M. Verstraete, D. Stroud
    Total Energy and Force Methods 2016, Luxembourg

  6. The role of anharmonicity in the ab-initio phase diagram of calcium
    M. Di Gennaro, S. Kumar Saha, M. J. Verstraete
    APS March Meeting 2013
  7. Invited talk: Material properties from machine learning
    6th Bari Xmas theory workshop, Bari University (It) 20 Dec., 2012
  8. Contributed talk:Seebeck, spin dependent Seebeck and spin Seebeck effect – an ab- initio approach
    11th ETSF – YRM Rome (It) 12-16 May, 2014
  9. Contributed talk:The role of anharmonicity in the ab-initio phase diagram of cal- cium
    Poster: Ab-initio study of the Spin Seebeck effect in metallic alloys
    10th ETSF – YRM Budapest (Hu) 20-24 May, 2013
  10. Spin-Caloritronics V Columbus, OH (USA) 13-16 May, 2013 Poster: Ab-initio study of the Spin Seebeck effect in metallic alloys
  11. APS march meeting 2013 Baltimore, MD (USA) 18-22 March, 2013 Contributed talk: The role of anharmonicity in the ab-initio phase diagram of calcium
  12. 2nd Bari Xmas theory workshop Bari University (It) 20 Dec., 2012
    Contributed talk: The role of anharmonicity in the ab-initio phase diagram of calcium
  13. 520 Wilhelm und Else Heraeus Seminar:Spin-orbit-driven transverse transport phenomena, Bonn University (De) 3-6 Dec., 2012
    Poster: Ab-initio study of the Spin Seebeck effect in metallic alloys
  14. 17th ETSF Workshop on Electronic Excitations: “Advanced Green function meth- ods”, Coimbra University (Pt) 01-06 Oct., 2012
    Poster: The role of anharmonicity in the ab-initio phase diagram of calcium
  15. SCAILD Workshop, Uppsala University (Se) 26-29 Aug., 2012Contributed talk: The role of anharmonicity in the ab-initio phase diagram of calciumUniversit ́e de Li`ege, Departement de physique, BBˆat. B5a, All ́ee du 6 aouˆt 17, 4000 Li`ege T+32 (0)4 83 36 36 78 kmdigennaro@ulg.ac.be
  16. 9th ETSF – YRM Bruxelles (Be) 21-25 May, 2012
    Poster: The role of anharmonicity in the ab-initio phase diagram of calcium
  17. PSI-K research conference: Computational oxide spintronics, Cheshire (UK) 07- 10 May, 2012
    Poster: Ab-initio study of the Spin Seebeck effect in metallic alloys
  18. 1st Bari Xmas theory Workshop: Bari University (It) 22 Dec., 2011 Contributed talk: Ab-initio calculations in condensed matter
  19. General meeting of the Belgian Physical Society, Namur University (Be) – 25 May 2011
  20. ETSF electron-phonon coupling workshop, Seggauerberg (Au) – 09-12 Aug., 2011
  21. 16th ETSF Workshop on Electronic Excitations: “Bridging theory and experiment”, Turin (It) 27-30 Sept., 2011

Other Contributions

IPAM Program “Complex Energy Landscapes” (fall 2017)

Nestor F. Aguirre, et al.

Whitepaper [PDF]

Posters

  1. Ab-initio study of the Spin Seebeck effect in metallic alloys
    10th ETSF – YRM Budapest – Hu (20-24 May, 2013)

  2. Ab-initio study of the Spin Seebeck effect in metallic alloys
    Spin-Caloritronics V Columbus, OH (USA) 13-16 May, 2013 

  3. Ab-initio study of the Spin Seebeck effect in metallic alloys
    520 Wilhelm und Else Heraeus Seminar:Spin-orbit-driven transverse transport phenomena, Bonn University (De) 3-6 Dec., 2012

  4. The role of anharmonicity in the ab-initio phase diagram of calcium
    17th ETSF Workshop on Electronic Excitations: “Advanced Green function methods”, Coimbra University (Pt) 01-06 Oct., 2012

  5. The role of anharmonicity in the ab-initio phase diagram of calcium
    9th ETSF – YRM Bruxelles (Be) 21-25 May, 2012

  6. Ab-initio study of the Spin Seebeck effect in metallic alloys
    PSI-K research conference: Computational oxide spintronics, Cheshire (UK) 07- 10 May, 2012