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Articles by Jonas Elm | Synthical

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Articles by Jonas Elm

Extrapolating Local Coupled Cluster Calculations Toward CCSD(T)/CBS Binding Energies of Atmospheric Molecular Clusters

2 July 2025 by Yosef Knattrup and Jonas Elm at

Aarhus University

Theoretical and Computational Chemistry, Earth, Space, and Environmental Chemistry

Thermodynamics of molecular binding and clustering in the atmosphere revealed through conventional and ML-enhanced umbrella sampling

13 June 2025 by Jakub Kubečka and others at

Aarhus University

Theoretical and Computational Chemistry, Physical Chemistry

Extrapolating Local Coupled Cluster Calculations Toward CCSD(T)/CBS Binding Energies of Atmospheric Molecular Clusters

13 May 2025 by Yosef Knattrup and Jonas Elm at

Aarhus University

Theoretical and Computational Chemistry, Earth, Space, and Environmental Chemistry

Iodine in the Atmosphere II: Cluster Formation Potential of Iodine Oxyacids and Iodine Oxides

19 February 2025 by Morten Engsvang and Jonas Elm at

Aarhus University

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Modeling Local Aerosol Surface Environments: Clustering of Organic Acids, Water, and Ions

7 October 2024 by Georg Baadsgaard Trolle and others at

Aarhus University

Physical Chemistry, Earth, Space, and Environmental Chemistry

Massive Assessment of the Geometries of Atmospheric Molecular Clusters

9 August 2024 by Andreas Buchgraitz Jensen and Jonas Elm at

Aarhus University

Theoretical and Computational Chemistry, Physical Chemistry

Ab Initio Molecular Dynamics Simulations of Atmospheric Molecular Clusters Boosted by Neural Networks

1 July 2024 by Jakub Kubečka and others

Theoretical and Computational Chemistry, Earth, Space, and Environmental Chemistry

Reparameterization of GFN1-xTB for Atmospheric Molecular Clusters: Applications to Multi-Acid–Multi-Base Systems

18 April 2024 by Yosef Knattrup and others at

Aarhus University

Theoretical and Computational Chemistry, Physical Chemistry

Iodine in the Atmosphere I: Computational Benchmark and Dimer Formation of Oxy-acids and Oxides

7 February 2024 by Morten Engsvang and others at

Aarhus University

Theoretical and Computational Chemistry, Physical Chemistry

Subarachnoid Hemorrhage Trials: Cutting, Sliding, or Keeping mRS Scores and WFNS Grades

18 January 2024 by A. Mistry and others at

University of Louisville

Computational Tools for Handling Molecular Clusters: Configurational Sampling, Storage, Analysis, and Machine Learning

25 September 2023 by Jakub Kubečka and others at

Aarhus University

Theoretical and Computational Chemistry, Physical Chemistry

Improved Configurational Sampling Protocol for Large Atmospheric Molecular Clusters

4 September 2023 by Haide Wu and others at

Aarhus University

Theoretical and Computational Chemistry