C. Panosetti

发表

Global structure search for molecules on surfaces: Efficient sampling with curvilinear coordinates.

K. Reuter, R. Maurer, Konstantin Krautgasser, 2016, The Journal of chemical physics.

Lithium intercalation into graphite beyond LiC6 at ambient pressure

C. Panosetti, J. Granwehr, C. Scheurer, 2021 .

Adsorption and reactivity of halogenated hydrocarbons on metal and semiconductor surfaces

C. Panosetti, 2013 .

Systematic Comparison of Genetic Algorithm and Basin Hopping Approaches to the Global Optimization of Si(111) Surface Reconstructions

Matt Probert, C. Panosetti, Maximilian Bauer, 2022, The journal of physical chemistry. A.

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

Johannes T. Margraf, K. Reuter, J. T. Margraf, 2019, Journal of chemical theory and computation.

Stereo-isomerism controls surface reactivity: 1-chloropentane-pairs on Si(100)-2×1.

W. Hofer, J. Polanyi, C. Panosetti, 2011, Chemical communications.

Consecutive reactions of small, free tantalum clusters with dioxygen controlled by relaxation dynamics.

K. Reuter, H. Oberhofer, C. Panosetti, 2017, Physical chemistry chemical physics : PCCP.

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

M. Voronenko, C. Panosetti, C. Rahe, 2021, Materials.

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

C. Panosetti, F. Gianturco, I. Baccarelli, 2010 .

Global Materials Structure Search with Chemically Motivated Coordinates.

Karsten Reuter, Chiara Panosetti, K. Reuter, 2015, Nano letters.

A Practical Guide to Surface Kinetic Monte Carlo Simulations

Karsten Reuter, Mie Andersen, Chiara Panosetti, 2019, Front. Chem..

van der Waals corrected DFT study of high coverage benzene adsorptions on Si(100) surface and STM simulations

W. Hofer, C. Panosetti, Haiping Lin, 2014 .

Adsorption of metadiiodobenzene on Cu(110): A theoretical study

Chiara Panosetti, Werner A. Hofer, W. Hofer, 2012, J. Comput. Chem..

The intrinsic electrostatic dielectric behaviour of graphite anodes in Li-ion batteries – across the entire functional range of charge

C. Panosetti, C. Scheurer, Simon Anni'es, 2022, Electrochimica Acta.

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

C. Panosetti, Stefan Seidlmayer, C. Scheurer, 2019, The journal of physical chemistry. A.

Revisiting the Storage Capacity Limit of Graphite Battery Anodes: Spontaneous Lithium Overintercalation at Ambient Pressure

C. Panosetti, Stefan Seidlmayer, J. Granwehr, 2021, PRX Energy.

Black box vs gray box: Comparing GAP and GPrep-DFTB for ruthenium and ruthenium oxide.

C. Panosetti, C. Scheurer, A. Samtsevych, 2023, The Journal of chemical physics.

Atomic scale switches based on self-assembled surface magic clusters

T. Amrhein, K. Reuter, C. Panosetti, 2018, Applied Physics Letters.

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

C. Panosetti, Stefan Seidlmayer, C. Scheurer, 2019, The journal of physical chemistry. A.