Chiara Panosetti

Learning to Use the Force: Fitting Repulsive Potentials in Density-Functional Tight-Binding with Gaussian Process Regression

Chiara Panosetti, Artur Engelmann, Lydia Nemec et al. · Journal of Chemical Theory and Computation · 2020 · 40 citations

Global Materials Structure Search with Chemically Motivated Coordinates

Chiara Panosetti, Konstantin Krautgasser, Dennis Palagin et al. · Nano Letters · 2015 · 25 citations

Crystal Structure, Engineering, Computational Chemistry +19

DFTB Modeling of Lithium-Intercalated Graphite with Machine-Learned Repulsive Potential

Chiara Panosetti, Simon Anniés, Cristina Grosu et al. · The Journal of Physical Chemistry A · 2021 · 23 citations · Full text

Staged Training of Machine-Learning Potentials from Small to Large Surface Unit Cells: Efficient Global Structure Determination of the RuO₂(100)-<i>c</i>(2 × 2) Reconstruction and (410) Vicinal

Yonghyuk Lee, Jakob Timmermann, Chiara Panosetti et al. · The Journal of Physical Chemistry C · 2023 · 21 citations · Full text

Geometric Learning, Staged Training, Machine Learning +22

Modelling fragmentations of aminoacids after resonant electron attachment: quantum evidence of possible direct -OH detachment

Chiara Panosetti, I. Baccarelli, F. Sebastianelli et al. · The European Physical Journal D · 2010 · 16 citations

Resonant Electron Attachment, Engineering, Physics +9