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 | 22 | 2023 |
Enhancement of Atmospheric Nucleation Precursors on Iodic Acid-Induced Nucleation: Predictive Model and Mechanism F Ma, HB Xie, R Zhang, L Su, Q Jiang, W Tang, J Chen, M Engsvang, ... Environmental Science & Technology 57 (17), 6944-6954, 2023 | 18 | 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 | 12 | 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 | 12 | 2023 |
Modeling the Binding Free Energy of Large Atmospheric Sulfuric Acid–Ammonia Clusters M Engsvang, J Elm ACS omega 7 (9), 8077-8083, 2022 | 12 | 2022 |
Toward Modeling the Growth of Large Atmospheric Sulfuric Acid–Ammonia Clusters M Engsvang, J Kubečka, J Elm ACS omega 8 (38), 34597-34609, 2023 | 11 | 2023 |
Improved Configurational Sampling Protocol for Large Atmospheric Molecular Clusters H Wu, M Engsvang, Y Knattrup, J Kubečka, J Elm ACS Omega, 2023 | 9 | 2023 |
Iodine Clusters in the Atmosphere I: Computational Benchmark and Dimer Formation of Oxyacids and Oxides M Engsvang, H Wu, J Elm ACS omega 9 (29), 31521-31532, 2024 | 2 | 2024 |
Accurate modeling of the potential energy surface of atmospheric molecular clusters boosted by neural networks J Kubečka, D Ayoubi, Z Tang, Y Knattrup, M Engsvang, H Wu, J Elm Environmental Science: Advances 3 (10), 1438-1451, 2024 | 1 | 2024 |
Iodine in the Atmosphere II: Cluster Formation Potential of Iodine Oxyacids and Iodine Oxides M Engsvang, J Elm | | 2025 |
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 |
Iodine in the Atmosphere I: Computational Benchmark and Dimer Formation of Oxy-acids and Oxides M Engsvang, H Wu, J Elm | | 2024 |
Chlorine Oxyacids Potentially Contribute to Arctic Aerosol Formation M Engsvang, Y Knattrup, J Kubečka, J Elm Environmental Science & Technology Letters, 2024 | | 2024 |
Accurate Modeling of the Potential Energy Surface of Molecular Clusters Boosted by Neural Networks J Kubečka, D Ayoubi, Z Tang, Y Knattrup, H Wu, J Elm, M Engsvang Environmental Science: Advances, 2024 | | 2024 |