A. Miguel - Publications, H-index & Citations

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A. Miguel

Aalto University

36H-index

166Paper Count

4.4KCitation Count

Published Papers 52

Publication Date

Nanocellulose-Derived Hard Carbons for Sodium-Ion Batteries: Structure–Function Relationships from Experiment and Molecular Augmented Dynamics Simulations

Chemistry of Materials

IF7

2026-04-16

OAAI

Hieu Trung Luong; Alexis Front; Tigany Zarrouk; Hua Jiang; Kristoffer Meinander; Vasuki Durairaj; Seyedabolfazl Mousavihashemi; Glen Pauls; Chamseddine Guizani; Virpi Siipola; Katri S. Kontturi; Tekla Tammelin; Miguel A. Caro; Tomi Laurila

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Density-dependent sodium-storage mechanisms in hard carbon materials

chem. sci.

IF0

2026-03-25

OAAI

Alexis Front; Tapio Ala-Nissilä; Miguel A. Caro

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Atomistic Mechanism in Sodium-Ion Storage Revealed by Experiment and Simulation

The Journal of Physical Chemistry C

IF3.2

2026-03-04

OAAI

Hieu Trung Luong; Alexis Front; Tigani Zarrouk; Seyedabolfazl Mousavihashemi; Vasuki Durairaj; Katri S. Kontturi; Tekla Tammelin; Miguel A. Caro; Tomi Laurila

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Improved capabilities of the TurboGAP code for radiation induced cascade simulations: An illustration with silicon

Computational Materials Science

IF3.3

2026-02-23

OAAI

Uttiyoarnab Saha; Ali Hamedani; Miguel A. Caro; Andrea E. Sand

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SAAP-148 Oligomerizes into a Hexamer Forming a Hydrophobic Inner Core

CHEMBIOCHEM

IF2.8

2025-04-21

PREAI

Hodzic, Aden; Vejzovic, Djenana; Topciu, Altea; Kuhlmann, Kirill; Kumar, Raj; Mroginski, Maria Andrea; de Miguel, Alejandra; Hofmann, Pia; Zangger, Klaus; Weingarth, Markus; Cordfunke, Robert A.; Drijfhout, Jan W.; Nibbering, Peter; Belicka, Michal; Lohner, Karl; Malanovic, Nermina

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Atom-wise formulation of the many-body dispersion problem for linear-scaling van der Waals corrections

PHYSICAL REVIEW B

IF3.7

2025-02-03

OAAI

Muhli, Heikki; Ala-Nissila, Tapio; Caro, Miguel A.

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Unifying the Description of Hydrocarbons and Hydrogenated Carbon Materials with a Chemically Reactive Machine Learning Interatomic Potential

CHEMISTRY OF MATERIALS

IF7

2025-01-22

OAAI

Ibragimova, Rina; Kuklin, Mikhail S.; Zarrouk, Tigany; Caro, Miguel A.

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Accelerated First-Principles Exploration of Structure and Reactivity in Graphene Oxide

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2024-11-13

OAAI

El-Machachi, Zakariya; Frantzov, Damyan; Nijamudheen, A.; Zarrouk, Tigany; Caro, Miguel A.; Deringer, Volker L.

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Gaussian approximation potentials: Theory, software implementation and application examples

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-11-06

OAAI

Klawohn, Sascha; Darby, James P.; Kermode, James R.; Csanyi, Gabor; Caro, Miguel A.; Bartok, Albert P.

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Exploring the configuration space of elemental carbon with empirical and machine learned interatomic potentials

NPJ COMPUTATIONAL MATERIALS

IF11.9

2023-07-27

OAAI

Marchant, George A.; Caro, Miguel A.; Karasulu, Bora; Partay, Livia B.

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Searching for iron nanoparticles with a general-purpose Gaussian approximation potential

PHYSICAL REVIEW B

IF3.7

2023-06-16

OAAI

Jana, Richard; Caro, Miguel A.

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A general-purpose machine learning Pt interatomic potential for an accurate description of bulk, surfaces, and nanoparticles

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-04-03

OAAI

Kloppenburg, Jan; Partay, Livia B.; Jonsson, Hannes; Caro, Miguel A.

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Quantum-corrected thickness-dependent thermal conductivity in amorphous silicon predicted by machine learning molecular dynamics simulations

PHYSICAL REVIEW B

IF3.7

2023-02-06

OAAI

Wang, Yanzhou; Fan, Zheyong; Qian, Ping; Caro, Miguel A.; Ala-Nissila, Tapio

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Structure and Pore Size Distribution in Nanoporous Carbon (vol 34, pg 617, 2022)

CHEMISTRY OF MATERIALS

IF7

2022-09-21

OAAI

Wang, Yanzhou; Fan, Zheyong; Qian, Ping; Ala-Nissila, Tapio; Caro, Miguel A.

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Accurate Computational Prediction of Core-Electron Binding Energies in Carbon-Based Materials: A Machine-Learning Model Combining Density-Functional Theory and GW

CHEMISTRY OF MATERIALS

IF7

2022-07-13

OAAI

Golze, Dorothea; Hirvensalo, Markus; Hernandez-Leon, Patricia; Aarva, Anja; Etula, Jarkko; Susi, Toma; Rinke, Patrick; Laurila, Tomi; Caro, Miguel A.

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Structure and Pore Size Distribution in Nanoporous Carbon

CHEMISTRY OF MATERIALS

IF7

2022-01-04

OAAI

Wang, Yanzhou; Fan, Zheyong; Qian, Ping; Ala-Nissila, Tapio; Caro, Miguel A.

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Reassignment of magic numbers for icosahedral Au clusters: 310, 564, 928 and 1426

NANOSCALE

IF5.1

2022-01-01

OAAI

Kloppenburg, Jan; Pedersen, Andreas; Laasonen, Kari; Caro, Miguel A.; Jonsson, Hannes

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What Determines the Electrochemical Properties of Nitrogenated Amorphous Carbon Thin Films?

CHEMISTRY OF MATERIALS

IF7

2021-08-23

OAAI

Etula, Jarkko; Wester, Niklas; Liljestrom, Touko; Sainio, Sami; Palomaki, Tommi; Arstila, Kai; Sajavaara, Timo; Koskinen, Jari; Caro, Miguel A.; Laurila, Tomi

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X-ray Spectroscopy Fingerprints of Pristine and Functionalized Graphene

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2021-08-16

OAAI

Aarva, Anja; Sainio, Sami; Deringer, Volker L.; Caro, Miguel A.; Laurila, Tomi

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Machine learning force fields based on local parametrization of dispersion interactions: Application to the phase diagram of C60

PHYSICAL REVIEW B

IF3.7

2021-08-06

OAAI

Muhli, Heikki; Chen, Xi; Bartok, Albert P.; Hernandez-Leon, Patricia; Csanyi, Gabor; Ala-Nissila, Tapio; Caro, Miguel A.

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Research Directions