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The Journal of Chemical Physics
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June 24, 2017
Doping as a means to probe the potential dependence of dopamine adsorption on carbon-based surfaces: A first-principles study
Anja Aarva, Tomi Laurila, Miguel A Caro
Journal of Chemical Theory and Computation
|
July 18, 2017
Redox Potentials from Ab Initio Molecular Dynamics and Explicit Entropy Calculations: Application to Transition Metals in Aqueous Solution
Miguel A Caro, Olga Lopez-Acevedo, Tomi Laurila
Nature Communications
|
October 30, 2020
A general-purpose machine-learning force field for bulk and nanostructured phosphorus
Volker L Deringer, Miguel A Caro, Gábor Csányi
The Journal of Chemical Physics
|
January 5, 2017
Accurate schemes for calculation of thermodynamic properties of liquid mixtures from molecular dynamics simulations
Miguel A Caro, Tomi Laurila, Olga Lopez-Acevedo
Chemical Science
|
March 26, 2026
Density-dependent sodium-storage mechanisms in hard carbon materials
Alexis Front, Tapio Ala-Nissilä, Miguel A Caro
Advanced Materials (Deerfield Beach, Fla.)
|
September 6, 2019
Machine Learning Interatomic Potentials as Emerging Tools for Materials Science
Volker L Deringer, Miguel A Caro, Gábor Csányi
The Journal of Chemical Physics
|
April 8, 2023
A general-purpose machine learning Pt interatomic potential for an accurate description of bulk, surfaces, and nanoparticles
Jan Kloppenburg, Livia B Pártay, Hannes Jónsson, et al.
Journal of the American Chemical Society
|
May 15, 2024
Experiment-Driven Atomistic Materials Modeling: A Case Study Combining X-Ray Photoelectron Spectroscopy and Machine Learning Potentials to Infer the Structure of Oxygen-Rich Amorphous Carbon
Tigany Zarrouk, Rina Ibragimova, Albert P Bartók, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
August 3, 2021
Connection between the physicochemical characteristics of amorphous carbon thin films and their electrochemical properties
Elli Leppänen, Anja Aarva, Sami Sainio, et al.
Nanoscale
|
June 15, 2022
Reassignment of magic numbers for icosahedral Au clusters: 310, 564, 928 and 1426
Jan Kloppenburg, Andreas Pedersen, Kari Laasonen, et al.
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Search research articles
Search
Showing results (1-10 of 21) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
June 24, 2017
Doping as a means to probe the potential dependence of dopamine adsorption on carbon-based surfaces: A first-principles study
Anja Aarva, Tomi Laurila, Miguel A Caro
Journal of Chemical Theory and Computation
|
July 18, 2017
Redox Potentials from Ab Initio Molecular Dynamics and Explicit Entropy Calculations: Application to Transition Metals in Aqueous Solution
Miguel A Caro, Olga Lopez-Acevedo, Tomi Laurila
Nature Communications
|
October 30, 2020
A general-purpose machine-learning force field for bulk and nanostructured phosphorus
Volker L Deringer, Miguel A Caro, Gábor Csányi
The Journal of Chemical Physics
|
January 5, 2017
Accurate schemes for calculation of thermodynamic properties of liquid mixtures from molecular dynamics simulations
Miguel A Caro, Tomi Laurila, Olga Lopez-Acevedo
Chemical Science
|
March 26, 2026
Density-dependent sodium-storage mechanisms in hard carbon materials
Alexis Front, Tapio Ala-Nissilä, Miguel A Caro
Advanced Materials (Deerfield Beach, Fla.)
|
September 6, 2019
Machine Learning Interatomic Potentials as Emerging Tools for Materials Science
Volker L Deringer, Miguel A Caro, Gábor Csányi
The Journal of Chemical Physics
|
April 8, 2023
A general-purpose machine learning Pt interatomic potential for an accurate description of bulk, surfaces, and nanoparticles
Jan Kloppenburg, Livia B Pártay, Hannes Jónsson, et al.
Journal of the American Chemical Society
|
May 15, 2024
Experiment-Driven Atomistic Materials Modeling: A Case Study Combining X-Ray Photoelectron Spectroscopy and Machine Learning Potentials to Infer the Structure of Oxygen-Rich Amorphous Carbon
Tigany Zarrouk, Rina Ibragimova, Albert P Bartók, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
August 3, 2021
Connection between the physicochemical characteristics of amorphous carbon thin films and their electrochemical properties
Elli Leppänen, Anja Aarva, Sami Sainio, et al.
Nanoscale
|
June 15, 2022
Reassignment of magic numbers for icosahedral Au clusters: 310, 564, 928 and 1426
Jan Kloppenburg, Andreas Pedersen, Kari Laasonen, et al.
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of 3