Miguel A. Caro

Orbital-Free Density Functional Theory Implementation with the Projector Augmented-Wave Method

Ari Harju, Jouko Lehtomäki, Ilja Makkonen, 2014, The Journal of chemical physics.

Particle Swarm Based Hyper-Parameter Optimization for Machine Learned Interatomic Potentials pdf

Miguel A. Caro, Suresh Kondati Natarajan, M. Caro, 2020, ArXiv.

Reactivity of Amorphous Carbon Surfaces: Rationalizing the Role of Structural Motifs in Functionalization Using Machine Learning

Tomi Laurila, Volker L. Deringer, Gábor Csányi, 2018, Chemistry of materials : a publication of the American Chemical Society.

Theory of local electric polarization and its relation to internal strain: Impact on polarization potential and electronic properties of group-III nitrides

Eoin P. O'Reilly, Miguel A. Caro, E. O’Reilly, 2013, 1309.3309.

Optimizing many-body atomic descriptors for enhanced computational performance of machine learning based interatomic potentials

Miguel A. Caro, M. Caro, M. A. Caro, 2019, Physical Review B.

Atomistic analysis of the impact of alloy and well-width fluctuations on the electronic and optical properties of InGaN/GaN quantum wells

Eoin P. O'Reilly, Miguel A. Caro, Conor Coughlan, 2015, 1501.05482.

Erratum: Piezoelectric coefficients and spontaneous polarization of ScAlN (2015 J. Phys. Condens. Matter 27 245901)

Siyuan Zhang, Tomi Laurila, Miguel A. Caro, 2015 .

Atomistic analysis of the electronic structure of m‐plane InGaN/GaN quantum wells: Carrier localization effects in ground and excited states due to random alloy fluctuations

Eoin P. O'Reilly, Miguel A. Caro, E. O’Reilly, 2016 .

Hybrid carbon based nanomaterials for electrochemical detection of biomolecules

Tomi Laurila, Miguel A. Caro, T. Laurila, 2017 .