Miguel Caro
Senior Scientist
Senior Scientist
T105 Chemistry and Materials
Full researcher profile
https://research.aalto.fi/...
E-post
[email protected]
Forskningsgrupp
- DAS Group, Senior Scientist
Publikationer
Accelerated First-Principles Exploration of Structure and Reactivity in Graphene Oxide
Zakariya El-Machachi, Damyan Frantzov, A. Nijamudheen, Tigany Zarrouk, Miguel A. Caro, Volker L. Deringer
2024
Angewandte Chemie - International Edition
Cluster-based multidimensional scaling embedding tool for data visualization
Patricia Hernandez Leon, Miguel A. Caro
2024
Physica Scripta
Experimental and Computational Study Toward Identifying Active Sites of Supported SnOx Nanoparticles for Electrochemical CO2 Reduction Using Machine-Learned Interatomic Potentials
Junjie Shi, Paulina Pršlja, Benjin Jin, Milla Suominen, Jani Sainio, Hua Jiang, Nana Han, Daria Robertson, Janez Košir, Miguel Caro, Tanja Kallio
2024
Small
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, Miguel A. Caro
2024
Journal of the American Chemical Society
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