Search research articles
Contact Us
Filters
Showing results (1-10 of 11) with videos related to
Page
of 2
Sort By:
Journal of Computational Chemistry
|
May 3, 2012
Adsorption of metadiiodobenzene on Cu(110): a theoretical study
Chiara Panosetti, Werner A Hofer
Frontiers in Chemistry
|
April 27, 2019
A Practical Guide to Surface Kinetic Monte Carlo Simulations
Mie Andersen, Chiara Panosetti, Karsten Reuter
The Journal of Physical Chemistry. A
|
May 6, 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
Nano Letters
|
October 8, 2015
Global Materials Structure Search with Chemically Motivated Coordinates
Chiara Panosetti, Konstantin Krautgasser, Dennis Palagin, et al.
The Journal of Physical Chemistry. A
|
January 11, 2021
DFTB Modeling of Lithium-Intercalated Graphite with Machine-Learned Repulsive Potential
Chiara Panosetti, Simon B Anniés, Cristina Grosu, et al.
Journal of Chemical Theory and Computation
|
March 11, 2020
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.
The Journal of Chemical Physics
|
September 3, 2016
Global structure search for molecules on surfaces: Efficient sampling with curvilinear coordinates
Konstantin Krautgasser, Chiara Panosetti, Dennis Palagin, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 5, 2025
Low-Cost Periodic Calculations of Metal-Organic Frameworks: A GFN1-xTB Perspective
Mateusz Pokora, Jakub Goclon, Johannes Margraf, et al.
Materials (Basel, Switzerland)
|
November 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, et al.
Chemical Communications (Cambridge, England)
|
October 19, 2011
Stereo-isomerism controls surface reactivity: 1-chloropentane-pairs on Si(100)-2×1
K R Harikumar, Iain R McNab, John C Polanyi, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Journal of Computational Chemistry
|
May 3, 2012
Adsorption of metadiiodobenzene on Cu(110): a theoretical study
Chiara Panosetti, Werner A Hofer
Frontiers in Chemistry
|
April 27, 2019
A Practical Guide to Surface Kinetic Monte Carlo Simulations
Mie Andersen, Chiara Panosetti, Karsten Reuter
The Journal of Physical Chemistry. A
|
May 6, 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
Nano Letters
|
October 8, 2015
Global Materials Structure Search with Chemically Motivated Coordinates
Chiara Panosetti, Konstantin Krautgasser, Dennis Palagin, et al.
The Journal of Physical Chemistry. A
|
January 11, 2021
DFTB Modeling of Lithium-Intercalated Graphite with Machine-Learned Repulsive Potential
Chiara Panosetti, Simon B Anniés, Cristina Grosu, et al.
Journal of Chemical Theory and Computation
|
March 11, 2020
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.
The Journal of Chemical Physics
|
September 3, 2016
Global structure search for molecules on surfaces: Efficient sampling with curvilinear coordinates
Konstantin Krautgasser, Chiara Panosetti, Dennis Palagin, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 5, 2025
Low-Cost Periodic Calculations of Metal-Organic Frameworks: A GFN1-xTB Perspective
Mateusz Pokora, Jakub Goclon, Johannes Margraf, et al.
Materials (Basel, Switzerland)
|
November 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, et al.
Chemical Communications (Cambridge, England)
|
October 19, 2011
Stereo-isomerism controls surface reactivity: 1-chloropentane-pairs on Si(100)-2×1
K R Harikumar, Iain R McNab, John C Polanyi, et al.
Page
of 2