Publications of Chiara Panosetti

Lee, Y.; Timmermann, J.; Panosetti, C.; Scheurer, C.; Reuter, K.: Staged Training of Machine-Learning Potentials from Small to Large Surface Unit Cells: Efficient Global Structure Determination of the RuO₂(100)-c(2 × 2) Reconstruction and (410) Vicinal. The Journal of Physical Chemistry C 127 (35), pp. 17599 - 17608 (2023)

Panosetti, C.; Lee, Y.; Samtsevych, A.; Scheurer, C.: Black box vs gray box: Comparing GAP and GPrep-DFTB for ruthenium and ruthenium oxide. The Journal of Chemical Physics 158 (22), 224115 (2023)

Anníes, S.; Scheurer, C.; Panosetti, C.: The intrinsic electrostatic dielectric behaviour of graphite anodes in Li-ion batteries-Across the entire functional range of charge. Electrochimica Acta 444, 141966 (2023)

Bauer, M. N.; Probert, M. I. J.; Panosetti, C.: Systematic Comparison of Genetic Algorithm and Basin Hopping Approaches to the Global Optimization of Si(111) Surface Reconstructions. The Journal of Physical Chemistry A 126 (19), pp. 3043 - 3056 (2022)

Anniés, S.; Panosetti, C.; Voronenko, M.; Mauth, D.; Rahe, C.; Scheurer, C.: Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential. Materials 14 (21), 6633 (2021)