Chiara Panosetti

6PUBLICATIONS
12CO-AUTHORS
Condensed matter modelling and density functional theoryTheoretical quantum chemistryMathematical aspects of general relativityGeospatial information systems and geospatial data modellingElectrical energy storage
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Publications (6)

|Sep 08, 2026
Determination of Density Functional Tight Binding Models for Cerium-Containing Materials.

|May 01, 2026
DSKO: Dancing through DFTB Parametrization.

|Jun 12, 2023
Black box vs gray box: Comparing GAP and GPrep-DFTB for ruthenium and ruthenium oxide.

C Panosetti, Y Lee, A Samtsevych

|May 06, 2022
Systematic Comparison of Genetic Algorithm and Basin Hopping Approaches to the Global Optimization of Si(111) Surface Reconstructions.

Maximilian N Bauer, Matt I J Probert, Chiara Panosetti

|Nov 13, 2021
Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential.

Simon Anniés, Chiara Panosetti, Maria Voronenko

|Jan 11, 2021
DFTB Modeling of Lithium-Intercalated Graphite with Machine-Learned Repulsive Potential.

Chiara Panosetti, Simon B Anniés, Cristina Grosu

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Frequent Collaborators

4 joint publications

Christoph Scheurer

3 joint publications

Artem Samtsevych

1 joint publications

Y Lee

1 joint publications

Simon Anniés