Miguel Caro
Senior Scientist
Senior Scientist
T105 Chemistry and Materials
Full researcher profile
https://research.aalto.fi/...
Email
[email protected]
Research groups
- DAS Group, Senior Scientist
Publications
Machine learning based modeling of disordered elemental semiconductors: understanding the atomic structure of a-Si and a-C
Miguel A. Caro
2023
Semiconductor Science and Technology
Tensor-Reduced Atomic Density Representations
James P. Darby, Dávid P. Kovács, Ilyes Batatia, Miguel A. Caro, Gus L.W. Hart, Christoph Ortner, Gábor Csányi
2023
Physical Review Letters
Searching for iron nanoparticles with a general-purpose Gaussian approximation potential
Richard Jana, Miguel A. Caro
2023
Physical Review B
Gaussian approximation potentials: Theory, software implementation and application examples
Sascha Klawohn, James P. Darby, James R. Kermode, Gábor Csányi, Miguel A. Caro, Albert P. Bartók
2023
Journal of Chemical Physics
A general-purpose machine learning Pt interatomic potential for an accurate description of bulk, surfaces, and nanoparticles
Jan Kloppenburg, Livia B. Pártay, Hannes Jónsson, Miguel A. Caro
2023
The Journal of chemical physics
Exploring the configuration space of elemental carbon with empirical and machine learned interatomic potentials
George A. Marchant, Miguel A. Caro, Bora Karasulu, Livia B. Pártay
2023
npj Computational Materials
Quantum-corrected thickness-dependent thermal conductivity in amorphous silicon predicted by machine learning molecular dynamics simulations
Yanzhou Wang, Zheyong Fan, Ping Qian, Miguel A. Caro, Tapio Ala-Nissila
2023
Physical Review B
Accurate Computational Prediction of Core-Electron Binding Energies in Carbon-Based Materials: A Machine-Learning Model Combining Density-Functional Theory and GW
Dorothea Golze, Markus Hirvensalo, Patricia Hernández-León, Anja Aarva, Jarkko Etula, Toma Susi, Patrick Rinke, Tomi Laurila, Miguel A. Caro
2022
Chemistry of Materials
Reassignment of magic numbers for icosahedral Au clusters: 310, 564, 928 and 1426
Jan Kloppenburg, Andreas Pedersen, Kari Laasonen, Miguel A. Caro, Hannes Jónsson
2022
Nanoscale
Addressing Dynamics at Catalytic Heterogeneous Interfaces with DFT-MD
Ville Korpelin, Toni Kiljunen, Marko M. Melander, Miguel A. Caro, Henrik H. Kristoffersen, Nisha Mammen, Vesa Apaja, Karoliina Honkala
2022
Journal of Physical Chemistry Letters