Yosef Knattrup
15 Papers
Yosef Knattrup is an academic researcher. The author has contributed to research in topics: Cluster (spacecraft) & Computer science. The author has an hindex of 2, co-authored 5 publications.
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Papers
Clusteromics IV: The Role of Nitric Acid in Atmospheric Cluster Formation
Yosef Knattrup,Jonas Elm +1 more
TL;DR: In this paper , the effect of nitric acid on cluster formation was studied using the calculated thermochemical data and cluster dynamics simulations, and the final single-point energies were calculated with high-level DLPNO-CCSD(T0)/aug-cc-pVTZ calculations.
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Quantum chemical modeling of organic enhanced atmospheric nucleation: A critical review
Jonas Elm,Daniel Ayoubi,Morten Engsvang,Andreas B. Jensen,Yosef Knattrup,Jakub Kubečka,Conor J Bready,Vance R Fowler,Shannon E Harold,George C. Shields +9 more
TL;DR: In this paper , the authors comprehensively review the literature on atmospheric cluster formation involving organic compounds, and suggest a "cluster of functional groups" approach to identify the potential structure of organic compounds that are involved in atmospheric particle formation.
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Clusteromics V: Organic Enhanced Atmospheric Cluster Formation
TL;DR: In this article , the role of Formic acid (FA) in organic enhanced nucleation was studied through the use of state-of-the-art quantum chemical methods on the cluster systems (acid)1−2(FA)1(base)1-2 with the acids being sulfuric acid, SA)/methanesulfonic acid (MSA), and the bases consisting of ammonia (A), methylamine (MA), dimethylamine, DMA, trimethyamine (TMA), and ethylenediamine (EDA).
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Nitric Acid and Organic Acids Suppress the Role of Methanesulfonic Acid in Atmospheric New Particle Formation.
TL;DR: This study investigates multicomponent atmospheric clusters, finding that nitric acid and organic acids significantly impact new particle formation, suppressing the role of methanesulfonic acid, and increasing rates by 60% in polluted regions with high concentrations of these acids.
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Computational Tools for Handling Molecular Clusters: Configurational Sampling, Storage, Analysis, and Machine Learning
J. Kubečka,Vitus Besel,Ivo Neefjes,Yosef Knattrup,Theo Kurtén,Hanna Vehkamäki,J. Elm +6 more
TL;DR: The Jammy Key framework, a collection of automated scripts that facilitate and streamline molecular cluster modeling workflows, is introduced, and the package alongside its assorted applications are presented, which underline its versatility.
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