Search results

• Band gap of the III-V semiconductors as a function of lattice parameter

  Caro, M. A. (Creator), Zenodo, 9 Sept 2013

  DOI: 10.5281/zenodo.1247977, https://zenodo.org/record/1247978

  Dataset

• GAP interatomic potential for silicon

  Caro, M. A. (Creator), Zenodo, 2021

  DOI: 10.5281/zenodo.5734462, https://zenodo.org/record/5734463

  Dataset

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

  Marchant, G. A. (Creator), Caro, M. A. (Creator), Karasulu, B. (Creator) & Partay, L. B. (Creator), Zenodo, 20 Dec 2022

  DOI: 10.5281/zenodo.7463705, https://zenodo.org/record/7463706

  Dataset

• Platinum nanoparticle database

  Kloppenburg, J. (Creator) & Caro, M. A. (Creator), Zenodo, 8 Dec 2022

  DOI: 10.5281/zenodo.7415541, https://zenodo.org/record/7415542

  Dataset

• Subset of stochastically generated interacting molecules for CH GAP interatomic potential

  Ibragimova, R. (Creator) & Caro Bayo, M. (Creator), Zenodo, 22 Jul 2024

  DOI: 10.5281/zenodo.12794461, https://zenodo.org/records/12794463

  Dataset

• GAP interatomic potential for C- and H-based systems

  Ibagimova, R. (Creator) & Caro Bayo, M. (Creator), Zenodo, 4 Apr 2024

  DOI: 10.5281/zenodo.10925278, https://zenodo.org/records/10925279

  Dataset

• cl-MDS

  Caro Bayo, M. (Creator) & Hernandez Leon, P. (Creator), GitHub, 2022

  https://github.com/mcaroba/cl-MDS

  Dataset: Software or code

• Atomic structures derived from high-temperature and -pressure transformations from C60 fullerenes

  Caro, M. A. (Creator), Zenodo, 2022

  DOI: 10.5281/zenodo.7006223, https://zenodo.org/record/7006223

  Dataset

• Iron nanoparticle database

  Jana, R. (Creator) & Caro Bayo, M. (Creator), Zenodo, 11 Feb 2023

  DOI: 10.5281/zenodo.7632314, https://zenodo.org/record/7632315

  Dataset

• Research data for "Accelerated First-Principles Exploration of Structure and Reactivity in Graphene Oxide"

  El-Machachi, Z. (Creator), Frantzov, D. (Contributor), Nijamudheen, A. (Contributor), Zarrouk, T. (Contributor), Caro, M. A. (Supervisor) & Deringer, V. (Supervisor), Zenodo, 30 Oct 2024

  DOI: 10.5281/zenodo.14013191, https://zenodo.org/records/14013192

  Dataset

• General purpose Gaussian approximation potential for CO

  Caro, M. A. (Creator) & Zarrouk, T. (Creator), Zenodo, 3 Jan 2024

  DOI: 10.5281/zenodo.10456067, https://zenodo.org10456068

  Dataset

• GAP-20 machine learning force field for phosphorus

  Deringer, V. L. (Creator), Caro Bayo, M. (Creator) & Csányi, G. (Creator), Zenodo, 13 Oct 2020

  DOI: 10.5281/zenodo.4003703

  Dataset

• Spontaneous crystallization of a large Pt nanoparticle

  Caro, M. A. (Creator), Zenodo, 8 Dec 2022

  DOI: 10.5281/zenodo.7415630, https://zenodo.org/record/7415631

  Dataset

• Thermal spike during simulated deposition of tetrahedral amorphous carbon films

  Caro, M. A. (Creator), Zenodo, 2020

  DOI: 10.5281/zenodo.4030349, https://zenodo.org/record/4030350

  Dataset

• Methanol-water mixtures obtained with the OPLS force field and SPCE water model

  Caro Bayo, M. (Creator), Zenodo, 25 Apr 2017

  DOI: 10.5281/zenodo.567867

  Dataset

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

  Wang, Y. (Creator), Fan, Z. (Creator), Caro, M. A. (Creator) & Ala-Nissila, T. (Creator), Zenodo, 2022

  DOI: 10.5281/zenodo.6671638, https://arxiv.org/abs/2206.07605

  Dataset

• Data for "Density dependence of thermal conductivity in nanoporous and amorphous carbon with machine-learned molecular dynamics"

  Wang, Y. (Creator), Fan, Z. (Creator), Qian, P. (Creator), Caro Bayo, M. (Creator) & Ala-Nissila, T. (Creator), Zenodo, 21 Aug 2024

  DOI: 10.5281/zenodo.13357334, https://doi.org/10.5281/zenodo.14382402

  Dataset

• GAP interatomic potential for amorphous carbon

  Caro Bayo, M. (Creator), Zenodo, 25 Aug 2020

  DOI: 10.5281/zenodo.4000210

  Dataset

• GAP general purpose interatomic potential for iron

  Jana, R. (Creator) & Caro Bayo, M. (Creator), Zenodo, 11 Feb 2023

  DOI: 10.5281/zenodo.7630368, https://zenodo.org/record/7630369

  Dataset

• General purpose Gaussian approximation potential for P with Hirshfeld volumes for vdW corrections

  Muhli, H. (Creator) & Caro, M. A. (Creator), Zenodo, 30 Oct 2024

  DOI: 10.5281/zenodo.14013796, https://zenodo.org/records/14013797

  Dataset

• GAP interatomic potential for PtAu:H nanoparticle simulation

  Kloppenburg, J. (Creator) & Caro, M. A. (Creator), Zenodo, 13 May 2024

  DOI: 10.5281/zenodo.11184038, https://zenodo.org/records/11184039

  Dataset

• Structural database of small PtAu and hydrogenated PtAu nanoparticles

  Kloppenburg, J. (Creator) & Caro, M. A. (Creator), Zenodo, 13 May 2024

  DOI: 10.5281/zenodo.11185691, https://zenodo.org/records/11185692

  Dataset

• Amorphous carbon films generated through simulated deposition with GAP from 1eV to 100eV

  Caro Bayo, M. (Creator), Zenodo, 15 Jun 2020

  DOI: 10.5281/zenodo.3778153

  Dataset

• Deposition of amorphous carbon at different energies modeled with GAP

  Caro, M. A. (Creator), Zenodo, 2017

  DOI: 10.5281/zenodo.1133424, https://zenodo.org/record/1133425

  Dataset

• General-purpose GAP potential for platinum

  Kloppenburg, J. (Creator) & Caro, M. A. (Creator), Zenodo, 8 Dec 2022

  DOI: 10.5281/zenodo.7415216

  Dataset