Yosef Knattrup

13PUBLICATIONS
14CO-AUTHORS
Theoretical quantum chemistryChemical and thermal processes in energy and combustionRadiation and matterStatistical mechanics in chemistryFormal methods for software
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Publications (13)

|Jul 03, 2026
Coupled Cluster Free Energies for Atmospheric Molecular Clusters: Benchmark and Matching Experimental Free Energies.

|Dec 08, 2025
Correction to "Improved Configurational Sampling Protocol for Large Atmospheric Molecular Clusters".

Haide Wu, Morten Engsvang, Yosef Knattrup

|Oct 20, 2025
Extrapolating Local Coupled Cluster Calculations toward CCSD(T)/CBS Binding Energies of Atmospheric Molecular Clusters.

Yosef Knattrup, Jonas Elm

|Sep 08, 2025
Thermodynamics of Molecular Binding and Clustering in the Atmosphere Revealed through Conventional and ML-Enhanced Umbrella Sampling.

Jakub Kubečka, Yosef Knattrup, Georg Baadsgaard Trolle

|Aug 23, 2024
Accurate modeling of the potential energy surface of atmospheric molecular clusters boosted by neural networks.

Jakub Kubečka, Daniel Ayoubi, Zeyuan Tang

|Jun 24, 2024
Reparameterization of GFN1-xTB for atmospheric molecular clusters: applications to multi-acid-multi-base systems.

Yosef Knattrup, Jakub Kubečka, Haide Wu

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Frequent Collaborators

13 joint publications

Jonas Elm

5 joint publications

Jakub Kubečka

4 joint publications

Morten Engsvang

4 joint publications

Haide Wu