Miguel Caro

Senior Scientist
Senior Scientist
T105 Chemistry and Materials
Full researcher profile


  • DAS Group, Senior Scientist


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

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