PUBLICATIONS

Last update : 09/03/2026
  • Gorelov, V., Reining, L., Feneberg, M., Goldhahn, R., Schleife, A., Lambrecht, W.R.L., Gatti, M. "Delocalization of dark and bright excitons in flat-band materials and the optical properties of V2O5" npj Computational Materials., 8: art.n° 94. (2022).
  • Vanzini, M., Aouina, A., Panholzer, M., Gatti, M., Reining , L. "Connector theory for reusing model results to determine materials properties" npj Computational Materials., 8: art.n° 98. (2022).
  • Gopakumar, G., Muchová, E., Unger, I., Malerz, S., Trinter, F., Öhrwall, G., Lipparini, F., Mennucci, B., Céolin, D., Caleman, C., Wilkinson, I., Winter, B., Slavíček, P., Hergenhahn, U., Björneholm, O. "Probing aqueous ions with non-local Auger relaxation" PCCP - Physical Chemistry Chemical Physics., 24(15): 8661-8671. (2022).
  • Martins, J.B., de Moura, C.E.V., Goldsztejn, G., Travnikova, O, Guillemin, R., Ismail, I., Journel, L., Koulentianos, D., Barbatti, M., Lago, A.F., Ceolin, D., Rocco, M.L., Püttner, R., Piancastelli, M.N., Simon, M., Marchenko, T. "Electron delocalisation in conjugated sulfur heterocycles probed by resonant Auger spectroscopy" PCCP - Physical Chemistry Chemical Physics., 24(14): 8477-8487. (2022).
  • Goldsztejn, G., Guillemin, R., Marchenko, T., Travnikova, O, Ceolin, D., Journel, L., Simon, M., Piancastelli, M.N., Püttner, R. "Simulation of Auger decay dynamics in the hard x-ray regime: HCl as showcase" PCCP - Physical Chemistry Chemical Physics., 24(11): 6590-6604. (2022).
  • Cherasse, M., Dong, J., Trippé-Allard, G., Deleporte, E., Garrot, D., Maehrlein, S.F., Wolf, M., Chen, Z., Papalazarou, E., Marsi, M., Rueff, J.P., Taleb-Ibrahimi, A., Perfetti, L. "Electron Dynamics in Hybrid Perovskites Reveal the Role of Organic Cations on the Screening of Local Charges" Nano Letters., 22(5): 2065–2069. (2022).
  • Henthorn, J.T., Cutsail III, G.E., Weyhermüller, T., DeBeer, S. "Stabilization of intermediate spin states in mixed-valent diiron dichalcogenide complexes" Nature Chemistry., 14(3): 328–333. (2022).
  • Lorin, A., Gatti, M., Reining, L., Sottile, F. "First-principles study of excitons in optical spectra of silver chloride" Physical Review B., 104(23): art.n° 235149. (2021).
  • Martin, N.M., Törndahl, T., Wallin, E., Simonov, K.A., Rensmo, H., Platzer-Björkman, C. "Surface/Interface Effects by Alkali Postdeposition Treatments of (Ag,Cu)(In,Ga)Se2 Thin Film Solar Cells" ACS Applied Energy Materials., 5(1): 461–468. (2022).
  • Atkins, D., Ayerbe, E., Benayad, A., Capone, F.G., Capria, E., Castelli, I.E., Cekic-Laskovic, I., Ciria, R., Dudy, L., Edström, K., Johnson, M.R., Li, H., Garcia Lastra, J.M., De Souza, M.L., Meunier, V., Morcrette, M., Reichert, H., Simon, P., Rueff, J.P., Sottmann, J., Wenzel, W., Grimaud, A. "Understanding Battery Interfaces by Combined Characterization and Simulation Approaches: Challenges and Perspectives" Advanced Energy Materials., 12(17): art.n° 2102687. (2022).