E-LIB Suche - Ergebnisse für: Panosetti, Chiara

1

The intrinsic electrostatic dielectric behaviour of graphit..:

Anniés, Simon ; Scheurer, Christoph ; Panosetti, Chiara
Electrochimica Acta. 444 (2023) - p. 141966 , 2023

2

Staged Training of Machine-Learning Potentials from Small t..:

Lee, Yonghyuk ; Timmermann, Jakob ; Panosetti, Chiara..
The Journal of Physical Chemistry C. 127 (2023) 35 - p. 17599-17608 , 2023

Link: https://doi.org/10.1021/..

3

Revisiting the Storage Capacity Limit of Graphite Battery A..:

Grosu, Cristina ; Panosetti, Chiara ; Merz, Steffen...
PRX Energy. 2 (2023) 1 - p. , 2023

Link: https://doi.org/10.1103/..

4

Systematic Comparison of Genetic Algorithm and Basin Hoppin..:

Bauer, Maximilian N. ; Probert, Matt I. J. ; Panosetti, Chiara
The Journal of Physical Chemistry A. 126 (2022) 19 - p. 3043-3056 , 2022

Link: https://doi.org/10.1021/..

5

DFTB Modeling of Lithium-Intercalated Graphite with Machine..:

Panosetti, Chiara ; Anniés, Simon B. ; Grosu, Cristina..
The Journal of Physical Chemistry A. 125 (2021) 2 - p. 691-699 , 2021

Link: https://doi.org/10.1021/..

6

Accessing Structural, Electronic, Transport and Mesoscale P..:

Anniés, Simon ; Panosetti, Chiara ; Voronenko, Maria...
Materials. 14 (2021) 21 - p. 6633 , 2021

Link: https://doi.org/10.3390/..

7

Learning to Use the Force: Fitting Repulsive Potentials in ..:

Panosetti, Chiara ; Engelmann, Artur ; Nemec, Lydia..
Journal of Chemical Theory and Computation. 16 (2020) 4 - p. 2181-2191 , 2020

Link: https://doi.org/10.1021/..

8

A Practical Guide to Surface Kinetic Monte Carlo Simulation:

Andersen, Mie ; Panosetti, Chiara ; Reuter, Karsten
Frontiers in Chemistry. 7 (2019) - p. , 2019

Link: https://doi.org/10.3389/..

9

Atomic scale switches based on self-assembled surface magic..:

Franz, Martin ; Panosetti, Chiara ; Große, Jan...
Applied Physics Letters. 112 (2018) 25 - p. , 2018

Link: https://doi.org/10.1063/..

10

Global structure search for molecules on surfaces: Efficien..:

Krautgasser, Konstantin ; Panosetti, Chiara ; Palagin, Dennis..
The Journal of Chemical Physics. 145 (2016) 8 - p. , 2016

Link: https://doi.org/10.1063/..

11

Global Materials Structure Search with Chemically Motivated..:

Panosetti, Chiara ; Krautgasser, Konstantin ; Palagin, Dennis..
Nano Letters. 15 (2015) 12 - p. 8044-8048 , 2015

Link: https://doi.org/10.1021/..

12

van der Waals corrected DFT study of high coverage benzene ..:

Czekala, Piotr T. ; Panosetti, Chiara ; Lin, Haiping.
Surface Science. 621 (2014) - p. 152-161 , 2014

Link: https://doi.org/10.1016/..

13

Adsorption of metadiiodobenzene on Cu(110): A theoretical s..:

Panosetti, Chiara ; Hofer, Werner A.
Journal of Computational Chemistry. 33 (2012) 19 - p. 1623-1631 , 2012

Link: https://doi.org/10.1002/..

14

Stereo-isomerism controls surface reactivity: 1-chloropenta..:

Harikumar, K. R. ; McNab, Iain R. ; Polanyi, John C....
Chemical Communications. 47 (2011) 44 - p. 12101 , 2011

Link: https://doi.org/10.1039/..

15

Systematic Comparison of Genetic Algorithm and Basin Hoppin..:

Bauer, Maximilian ; Probert, Matt ; Panosetti, Chiara
https://eprints.whiterose.ac.uk/186995/1/acs.jpca.2c00647.pdf. , 2022

Link: https://eprints.whiteros..