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

• Jakub Kubečka,
• Vitus Besel,
• Ivo Neefjes,
• Yosef Knattrup,
• Theo Kurtén,
• Hanna Vehkamäki,
• Jonas Elm

Affiliations

Jakub Kubečka

Aarhus University, Department of Chemistry, Aarhus, Denmark

Vitus Besel

University of Helsinki, Institute for Atmospheric and Earth System Research/Physics, Faculty of Science, Helsinki, Finland

Ivo Neefjes

University of Helsinki, Institute for Atmospheric and Earth System Research/Physics, Faculty of Science, Helsinki, Finland

Yosef Knattrup

Aarhus University, Department of Chemistry, Aarhus, Denmark

Theo Kurtén

University of Helsinki, Institute for Atmospheric and Earth System Research/Chemistry, Faculty of Science, Helsinki, Finland

Hanna Vehkamäki

University of Helsinki, Institute for Atmospheric and Earth System Research/Physics, Faculty of Science, Helsinki, Finland

Jonas Elm

Aarhus University, Department of Chemistry, Aarhus, Denmark