Rickert, C.A.; Hayta, E.N.; Selle, D.M.; Kouroudis, I.; Harth, M.; Gagliardi, A.; Lieleg, O.Machine Learning Approach to Analyze the Surface Properties of Biological MaterialsACS Biomater. Sci. Eng. 7, 9, 4614–4625 2021-082021Aug
Singh, A.; Gagliardi, A.Device simulation of all-perovskite four-terminal tandem solar cells: towards 33% efficiencyEPJ Photovoltaics, Volume 12, Article number 4,2021-112021Nov
Rinderle, M.; Gagliardi, A.Machine Learning & multiscale simulations: toward fast screening of organic semiconductor materialsInternational Conference on Numerical Simulation of Optoelectronic Devices (NUSOD)Torino, Italy 13-17 Sep 2021-09IEEE Explore Library2021
Kaiser, W.; Janković, V.; Vukmirović, N.; Gagliardi, A.Nonequilibrium Thermodynamics of Charge Separation in Organic Solar CellsJ. Phys. Chem. Lett. 12, 27, 6389–6397 2021-072021Jul
Singh, A.; Matteocci, F.; Zhu, H.; Rossi,D.; Mejaouri, S.; Cacovich, S.; Auf Der Maur, M.; Sauvage, F.; Gagliardi, A.Methylamine gas treatment affords improving semi-transparency, efficiency and stability of CH3NH3PbBr3-based perovskite solar cells RRL Solar 2021-072021Jul
Kaiser, W.; Mosconi, E.; Alothman, A.A.; Meggiolaro, D.; Gagliardi, A.; De Angelis, F.Halide-Driven Formation of Lead Halide Perovskites: Insight from Ab Initio Molecular Dynamics SimulationsMater. Adv.,2, 3915-3926 2021-052021May
Mayr, F.; Gagliardi, A.Global property prediction: A benchmark study on open source, perovskite-like datasetsACS Omega 6, 19, 12722–12732 2021-052021May
Hussain, K.; Kaiser, W.; Gagliardi, A.Role of the Interface and Extraction Layer Energetics in Organic Solar CellsJ. Phys. Chem. C 125, 10, 5447–5457 2021-032021Mar
Kaiser, W.; Murthy L.N.S.; Chung, C.-L.; Wong, K.-T.; Hsu, J.W.P.; Gagliardi, A.Origin of Hole Transport in Small Molecule Dilute Donor Solar CellsAdv. Energy Sustainability Res. 2000042 1-12 2021-022021Feb
Singh, A.; Kaiser, W.; Gagliardi, A.Role of cation-mediated recombination in perovskite solar cellsSolar Energy Materials and Solar Cells Volume 221, March 110912 2021-032021Mar
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