Research output per year
Research output per year
- 15 results
Search results
-
2025
Base synergy in freshly nucleated particles
Hasan, G., Wu, H., Knattrup, Y. & Elm, J., 2025, In: Aerosol Research. 3, 1, p. 101-111 11 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access -
Uptake of organic vapours and nitric acid on atmospheric freshly nucleated particles
Knattrup, Y. & Elm, J., 2025, In: Aerosol Research. 3, p. 125-137 13 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access -
2024
Accurate modeling of the potential energy surface of atmospheric molecular clusters boosted by neural networks
Kubečka, J., Ayoubi, D., Tang, Z., Knattrup, Y., Engsvang, M., Wu, H. & Elm, J., 13 Aug 2024, In: Environmental science: Advances. 3, 10, p. 1438-1451 14 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access1 Citation (Scopus) -
A cluster-of-functional-groups approach for studying organic enhanced atmospheric cluster formation
Pedersen, A. N., Knattrup, Y. & Elm, J., 2024, In: Aerosol Research. 2, 1, p. 123-134 12 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access -
Chlorine Oxyacids Potentially Contribute to Arctic Aerosol Formation
Engsvang, M., Knattrup, Y., Kubečka, J. & Elm, J., 13 Feb 2024, In: Environmental Science and Technology Letters. 11, 2, p. 101-105 5 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
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Reparameterization of GFN1-xTB for atmospheric molecular clusters: applications to multi-acid-multi-base systems
Knattrup, Y., Kubečka, J., Wu, H., Jensen, F. & Elm, J., 21 Jun 2024, In: RSC Advances. 14, 28, p. 20048-20055 8 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access1 Citation (Scopus) -
2023
Clusterome: A Comprehensive Data Set of Atmospheric Molecular Clusters for Machine Learning Applications
Knattrup, Y., Kubečka, J., Ayoubi, D. & Elm, J., 18 Jul 2023, In: ACS Omega. 8, 28, p. 25155-25164 10 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access9 Citations (Scopus) -
Clusteromics V: Organic Enhanced Atmospheric Cluster Formation
Ayoubi, D., Knattrup, Y. & Elm, J., Mar 2023, In: ACS Omega. 8, 10, p. 9621-9629 9 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access14 Citations (Scopus) -
Computational Tools for Handling Molecular Clusters: Configurational Sampling, Storage, Analysis, and Machine Learning
Kubečka, J., Besel, V., Neefjes, I., Knattrup, Y., Kurtén, T., Vehkamäki, H. & Elm, J., 28 Nov 2023, In: ACS Omega. 8, 47, p. 45115-45128 14 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access7 Citations (Scopus) -
Current and future machine learning approaches for modeling atmospheric cluster formation
Kubečka, J., Knattrup, Y., Engsvang, M., Jensen, A. B., Ayoubi, D., Wu, H., Christiansen, O. & Elm, J., Jun 2023, In: Nature Computational Science. 3, 6, p. 495-503 9 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
8 Citations (Scopus) -
Improved Configurational Sampling Protocol for Large Atmospheric Molecular Clusters
Wu, H., Engsvang, M., Knattrup, Y., Kubečka, J. & Elm, J., Nov 2023, In: ACS Omega. 8, 47, p. 45065-45077 13 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open AccessFile5 Citations (Scopus)20 Downloads (Pure) -
Nitric Acid and Organic Acids Suppress the Role of Methanesulfonic Acid in Atmospheric New Particle Formation
Knattrup, Y., Kubečka, J. & Elm, J., 14 Sept 2023, In: The Journal of Physical Chemistry A. 127, 36, p. 7568-7578 11 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
8 Citations (Scopus) -
Quantum chemical modeling of atmospheric molecular clusters involving inorganic acids and methanesulfonic acid
Engsvang, M., Wu, H., Knattrup, Y., Kubečka, J., Jensen, A. B. & Elm, J., Sept 2023, In: Chemical Physics Reviews. 4, 3, 031311 .Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Review › Research › peer-review
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Quantum chemical modeling of organic enhanced atmospheric nucleation: A critical review
Elm, J., Ayoubi, D., Engsvang, M., Jensen, A. B., Knattrup, Y., Kubečka, J., Bready, C. J., Fowler, V. R., Harold, S. E., Longsworth, O. M. & Shields, G. C., Sept 2023, In: Wiley Interdisciplinary Reviews: Computational Molecular Science. 13, 5, 43 p., e1662.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Review › Research › peer-review
Open AccessFile16 Citations (Scopus)13 Downloads (Pure) -
2022
Clusteromics IV: The Role of Nitric Acid in Atmospheric Cluster Formation
Knattrup, Y. & Elm, J., Sept 2022, In: ACS Omega. 7, 35, p. 31551–31560 10 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access16 Citations (Scopus)