Chiara Panosetti - Publications, H-index & Citations

Chiara Panosetti

max planck society

11H指数

29论文数

526被引数

收录论文 14

发表时间

DSKO: Dancing through DFTB Parametrization DSKO：通过DFTB参数化起舞

Journal of Chemical Theory and Computation

IF5.5

2026-05-01

OAAI

Artem Samtsevych; Yihua Song; Tammo van der Heide; Balint Aradi; Benjamin Hourahine; Reinhard J. Maurer; Karsten Reuter; Christoph Scheurer; Chiara Panosetti

Probing Acidity in Metal–Organic Frameworks via Pyridine Adsorption 通过吡啶吸附探测金属-有机框架中的酸性

The Journal of Physical Chemistry C

IF3.2

2026-04-17

PREAI

Mateusz Pokora; Jakub Goclon; Johannes T. Margraf; Chiara Panosetti; Artem Samtsevych; Piotr Paneth; Krzysztof Winkler

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

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2023-08-28

OAAI

Lee, Yonghyuk; Timmermann, Jakob; Panosetti, Chiara; Scheurer, Christoph; Reuter, Karsten

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

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-06-12

OAAI

Panosetti, C.; Lee, Y.; Samtsevych, A.; Scheurer, C.

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

ELECTROCHIMICA ACTA

IF5.6

2023-03-01

OAAI

Annies, Simon; Scheurer, Christoph; Panosetti, Chiara

Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential 通过具有机器学习排斥势的完整DFTB模型访问li-gic的结构，电子，传输和中尺度特性

MATERIALS

IF3.2

2021-11-03

OAAI

Annies, Simon; Panosetti, Chiara; Voronenko, Maria; Mauth, Dario; Rahe, Christiane; Scheurer, Christoph

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

JOURNAL OF PHYSICAL CHEMISTRY A

IF2.8

2021-01-09

OAAI

Panosetti, Chiara; Annies, Simon B.; Grosu, Cristina; Seidlmayer, Stefan; Scheurer, Christoph

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

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-03-10

PREAI

Panosetti, Chiara; Engelmann, Artur; Nemec, Lydia; Reuter, Karsten; Margraf, Johannes T.

A Practical Guide to Surface Kinetic Monte Carlo Simulations 表面动力学蒙特卡罗模拟的实用指南

FRONTIERS IN CHEMISTRY

IF4.2

2019-04-09

216

OAAI

Andersen, Mie; Panosetti, Chiara; Reuter, Karsten

Atomic scale switches based on self-assembled surface magic clusters

APPLIED PHYSICS LETTERS

IF3.6

2018-06-19

PREAI

Franz, Martin; Panosetti, Chiara; Grosse, Jan; Amrhein, Tim; Reuter, Karsten; Daehne, Mario

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

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2016-08-31

OAAI

Krautgasser, Konstantin; Panosetti, Chiara; Palagin, Dennis; Reuter, Karsten; Maurer, Reinhard J.

Global Materials Structure Search with Chemically Motivated Coordinates

NANO LETTERS

IF9.1

2015-11-25

OAAI

Panosetti, Chiara; Krautgasser, Konstantin; Palagin, Dennis; Reuter, Karsten; Maurer, Reinhard J.

Adsorption of metadiiodobenzene on Cu(110): A theoretical study 偏二碘苯在Cu(110) 上吸附的理论研究

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2012-05-02

PREAI

Panosetti, Chiara; Hofer, Werner A.

Stereo-isomerism controls surface reactivity: 1-chloropentane-pairs on Si(100)-2x1

CHEMICAL COMMUNICATIONS

IF4.2

2011-01-01

PREAI

Harikumar, K. R.; McNab, Iain R.; Polanyi, John C.; Zabet-Khosousi, Amir; Panosetti, Chiara; Hofer, Werner A.

研究方向