Research output per year
Research output per year
Research output
- 9 Article
Search results
-
2025
Atom-wise formulation of the many-body dispersion problem for linear-scaling van der Waals corrections
Muhli, H., Ala-Nissila, T. & Caro, M. A., 3 Feb 2025, In: Physical Review B. 111, 5, p. 1-21 21 p., 054103.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile2 Citations (Scopus)98 Downloads (Pure) -
Density dependence of thermal conductivity in nanoporous and amorphous carbon with machine-learned molecular dynamics
Wang, Y., Fan, Z., Qian, P., Caro, M. A. & Ala-Nissila, T., 1 Mar 2025, In: Physical Review B. 111, 9, p. 1-15 15 p., 094205.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile16 Citations (Web of Science)207 Downloads (Pure) -
2024
Cluster-based multidimensional scaling embedding tool for data visualization
Hernandez Leon, P. & Caro, M. A., 9 May 2024, In: Physica Scripta . 99, 6, 20 p., 066004.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile4 Citations (Scopus)130 Downloads (Pure) -
Experiment-Driven Atomistic Materials Modeling : A Case Study Combining X-Ray Photoelectron Spectroscopy and Machine Learning Potentials to Infer the Structure of Oxygen-Rich Amorphous Carbon
Zarrouk, T., Ibragimova, R., Bartók, A. P. & Caro, M. A., 29 May 2024, In: Journal of the American Chemical Society. 146, 21, p. 14645-14659 15 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile29 Citations (Scopus)75 Downloads (Pure) -
2023
Quantum-corrected thickness-dependent thermal conductivity in amorphous silicon predicted by machine learning molecular dynamics simulations
Wang, Y., Fan, Z., Qian, P., Caro, M. A. & Ala-Nissila, T., 1 Feb 2023, In: Physical Review B. 107, 5, p. 1-10 10 p., 054303.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile71 Citations (Scopus)272 Downloads (Pure) -
Searching for iron nanoparticles with a general-purpose Gaussian approximation potential
Jana, R. & Caro, M. A., 15 Jun 2023, In: Physical Review B. 107, 24, 17 p., 245421.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile17 Citations (Scopus)150 Downloads (Pure) -
2022
Accurate Computational Prediction of Core-Electron Binding Energies in Carbon-Based Materials: A Machine-Learning Model Combining Density-Functional Theory and GW
Golze, D., Hirvensalo, M., Hernández-León, P., Aarva, A., Etula, J., Susi, T., Rinke, P., Laurila, T. & Caro, M. A., 13 Jul 2022, In: Chemistry of Materials. 34, 14, p. 6240−6254Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile55 Citations (Scopus)214 Downloads (Pure) -
2021
Machine learning force fields based on local parametrization of dispersion interactions: Application to the phase diagram of C60
Muhli, H., Chen, X., Bartók, A. P., Hernández-León, P., Csányi, G., Ala-Nissila, T. & Caro, M. A., 6 Aug 2021, In: Physical Review B. 104, 5, 16 p., 054106.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile56 Citations (Web of Science)307 Downloads (Pure) -
Structure and Pore Size Distribution in Nanoporous Carbon
Wang, Y., Fan, Z., Qian, P., Ala-Nissila, T. & Caro, M. A., 4 Jan 2021, In: Chemistry of Materials. 34, 2, p. 617–628Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile81 Citations (Scopus)280 Downloads (Pure)