Clusteromics IV: the role of nitric acid in atmospheric cluster formation Y Knattrup, J Elm ACS omega 7 (35), 31551-31560, 2022 | 17 | 2022 |
Quantum chemical modeling of organic enhanced atmospheric nucleation: A critical review J Elm, D Ayoubi, M Engsvang, AB Jensen, Y Knattrup, J Kubečka, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 13 (5), e1662, 2023 | 14 | 2023 |
Clusteromics V: Organic Enhanced Atmospheric Cluster Formation D Ayoubi, Y Knattrup, J Elm ACS omega 8 (10), 9621-9629, 2023 | 11 | 2023 |
Current and future machine learning approaches for modeling atmospheric cluster formation J Kubečka, Y Knattrup, M Engsvang, AB Jensen, D Ayoubi, H Wu, ... Nature Computational Science 3 (6), 495-503, 2023 | 9 | 2023 |
Quantum chemical modeling of atmospheric molecular clusters involving inorganic acids and methanesulfonic acid M Engsvang, H Wu, Y Knattrup, J Kubečka, AB Jensen, J Elm Chemical Physics Reviews 4 (3), 2023 | 7 | 2023 |
Clusterome: a comprehensive data set of atmospheric molecular clusters for machine learning applications Y Knattrup, J Kubečka, D Ayoubi, J Elm ACS omega 8 (28), 25155-25164, 2023 | 7 | 2023 |
Nitric Acid and Organic Acids Suppress the Role of Methanesulfonic Acid in Atmospheric New Particle Formation Y Knattrup, J Kubečka, J Elm The Journal of Physical Chemistry A 127 (36), 7568-7578, 2023 | 6 | 2023 |
Computational Tools for Handling Molecular Clusters: Configurational Sampling, Storage, Analysis, and Machine Learning J Kubecka, V Besel, I Neefjes, Y Knattrup, T Kurtén, H Vehkamäki, J Elm ACS omega 8 (47), 45115-45128, 2023 | 5 | 2023 |
Improved Configurational Sampling Protocol for Large Atmospheric Molecular Clusters H Wu, M Engsvang, Y Knattrup, J Kubecka, J Elm ACS omega 8 (47), 45065-45077, 2023 | 5 | 2023 |
Reparameterization of GFN1-xTB for atmospheric molecular clusters: applications to multi-acid–multi-base systems Y Knattrup, J Kubečka, H Wu, F Jensen, J Elm RSC Advances 14 (28), 20048-20055, 2024 | 1 | 2024 |
Ab Initio Molecular Dynamics Simulations of Atmospheric Molecular Clusters Boosted by Neural Networks J Kubečka, D Ayoubi, Z Tang, Y Knattrup, M Engsvang, H Wu, J Elm | | 2024 |
Cluster-to-particle transition in atmospheric nanoclusters H Wu, Y Knattrup, AB Jensen, J Elm Aerosol Research Discussions 2024, 1-20, 2024 | | 2024 |
A cluster-of-functional-groups approach for studying organic enhanced atmospheric cluster formation AN Pedersen, Y Knattrup, J Elm Aerosol Research 2 (1), 123-134, 2024 | | 2024 |
Chlorine Oxyacids Potentially Contribute to Arctic Aerosol Formation M Engsvang, Y Knattrup, J Kubecka, J Elm Environmental Science & Technology Letters 11 (2), 101-105, 2024 | | 2024 |