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Miguel A. Caro
Miguel A. Caro
Senior Scientist & Academy of Finland Research Fellow, Aalto University
Verifisert e-postadresse på aalto.fi - Startside
Tittel
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Machine Learning Interatomic Potentials as Emerging Tools for Materials Science
VL Deringer, MA Caro, G Csányi
Advanced Materials 31 (46), 1902765, 2019
7642019
Piezoelectric coefficients and spontaneous polarization of ScAlN
MA Caro, S Zhang, T Riekkinen, M Ylilammi, MA Moram, ...
Journal of Physics: Condensed Matter 27 (24), 245901, 2015
3962015
Growth Mechanism and Origin of High Content in Tetrahedral Amorphous Carbon
MA Caro, VL Deringer, J Koskinen, T Laurila, G Csányi
Physical Review Letters 120 (16), 166101, 2018
1852018
Hybrid carbon based nanomaterials for electrochemical detection of biomolecules
T Laurila, S Sainio, MA Caro
Progress in Materials Science 88, 499-594, 2017
1832017
Atomistic analysis of the impact of alloy and well-width fluctuations on the electronic and optical properties of InGaN/GaN quantum wells
S Schulz, MA Caro, C Coughlan, EP O'Reilly
Physical Review B 91 (3), 035439, 2015
1642015
A general-purpose machine-learning force field for bulk and nanostructured phosphorus
VL Deringer, MA Caro, G Csányi
Nature communications 11 (1), 5461, 2020
1422020
Theory of local electric polarization and its relation to internal strain: Impact on polarization potential and electronic properties of group-III nitrides
MA Caro, S Schulz, EP O’Reilly
Physical Review B 88 (21), 214103, 2013
1422013
Optimizing many-body atomic descriptors for enhanced computational performance of machine learning based interatomic potentials
MA Caro
Physical Review B 100 (2), 024112, 2019
1372019
Understanding x-ray spectroscopy of carbonaceous materials by combining experiments, density functional theory, and machine learning. Part I: fingerprint spectra
A Aarva, VL Deringer, S Sainio, T Laurila, MA Caro
Chemistry of Materials 31 (22), 9243-9255, 2019
1192019
Understanding X-ray spectroscopy of carbonaceous materials by combining experiments, density functional theory and machine learning. Part II: quantitative fitting of spectra
A Aarva, VL Deringer, S Sainio, T Laurila, MA Caro
Chemistry of Materials 31 (22), 9256, 2019
1192019
Orbital-free density functional theory implementation with the projector augmented-wave method
J Lehtomäki, I Makkonen, MA Caro, A Harju, O Lopez-Acevedo
The Journal of Chemical Physics 141 (23), 234102, 2014
1132014
Reactivity of amorphous carbon surfaces: rationalizing the role of structural motifs in functionalization using machine learning
MA Caro, A Aarva, VL Deringer, G Csányi, T Laurila
Chemistry of Materials 30 (21), 7446-7455, 2018
1052018
Computational Surface Chemistry of Tetrahedral Amorphous Carbon by Combining Machine Learning and Density Functional Theory
VL Deringer, MA Caro, R Jana, A Aarva, SR Elliott, T Laurila, G Csányi, ...
Chemistry of Materials 30 (21), 7438-7445, 2018
892018
Composition-Dependent Band Gap and Band-Edge Bowing in AlInN: A Combined Theoretical and Experimental Study
S Schulz, MA Caro, LT Tan, PJ Parbrook, RW Martin, EP O'Reilly
Applied Physics Express 6 (12), 121001, 2013
842013
Symmetry-adapted calculations of strain and polarization fields in (111)-oriented zinc-blende quantum dots
S Schulz, MA Caro, EP O’Reilly, O Marquardt
Physical Review B 84 (12), 125312, 2011
772011
Structural, electronic, and optical properties of m-plane InGaN/GaN quantum wells: Insights from experiment and atomistic theory
S Schulz, DP Tanner, EP O'Reilly, MA Caro, TL Martin, PAJ Bagot, ...
Physical Review B 92 (23), 235419, 2015
762015
Machine learning driven simulated deposition of carbon films: From low-density to diamondlike amorphous carbon
MA Caro, G Csányi, T Laurila, VL Deringer
Physical Review B 102 (17), 174201, 2020
712020
Electron transport determines the electrochemical properties of tetrahedral amorphous carbon (ta-C) thin films
T Palomäki, N Wester, MA Caro, S Sainio, V Protopopova, J Koskinen, ...
Electrochimica Acta 225, 1-10, 2017
682017
Band gap bowing and optical polarization switching in Al Ga N alloys
C Coughlan, S Schulz, MA Caro, EP O'Reilly
physica status solidi (b) 252 (5), 879-884, 2015
682015
Structure and Pore Size Distribution in Nanoporous Carbon
Y Wang, Z Fan, P Qian, T Ala-Nissila, MA Caro
Chemistry of Materials 34 (2), 617-628, 2022
622022
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Artikler 1–20