Publikationen von Chiara Panosetti
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Zeitschriftenartikel (5)
1.
Zeitschriftenartikel
127 (35), S. 17599 - 17608 (2023)
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 2.
Zeitschriftenartikel
158 (22), 224115 (2023)
Black box vs gray box: Comparing GAP and GPrep-DFTB for ruthenium and ruthenium oxide. The Journal of Chemical Physics 3.
Zeitschriftenartikel
444, 141966 (2023)
The intrinsic electrostatic dielectric behaviour of graphite anodes in Li-ion batteries-Across the entire functional range of charge. Electrochimica Acta 4.
Zeitschriftenartikel
126 (19), S. 3043 - 3056 (2022)
Systematic Comparison of Genetic Algorithm and Basin Hopping Approaches to the Global Optimization of Si(111) Surface Reconstructions. The Journal of Physical Chemistry A 5.
Zeitschriftenartikel
14 (21), 6633 (2021)
Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential. Materials