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All papers authored by Vitus Besel

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2024 Vitus Besel

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, Milica Todorović, Theo Kurtén, Hanna Vehkamäki, Patrick Rinke

The search for sparse data in molecular datasets: Application of active learning to identify extremely low volatile organic compounds

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Lauri Seppäläinen

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, Anton Björklund

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, Vitus Besel

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, Kai Puolamäki

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Using slisemap to interpret physical data

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2023 Jakub Kubečka

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, Vitus Besel

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, Yosef Knattrup

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, Hanna Vehkamäki

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

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Eka Dian Pusfitasari

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, Jose Ruiz-Jimenez

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, Jörgen Samuelsson

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, Vitus Besel

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, Torgny Fornstedt

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, Kari Hartonen

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, Marja-Liisa Riekkola

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Assessment of physicochemical properties of sorbent materials in passive and active sampling systems towards gaseous nitrogen-containing compounds

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Vitus Besel

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, Milica Todorović, Theo Kurtén, Patrick Rinke

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, Hanna Vehkamäki

Atomic structures, conformers and thermodynamic properties of 32k atmospheric molecules

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Vitus Besel

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, Milica Todorović, Theo Kurtén, Patrick Rinke, Hanna Vehkamäki

Curation of High-level Molecular Atmospheric Data for Machine Learning Purposes

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Jakub Kubečka

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, Vitus Besel

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, Fukang Qiao, Hong-Bin Xie

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ORCID

Atmospheric Sulfuric Acid–Multi-Base New Particle Formation Revealed through Quantum Chemistry Enhanced by Machine Learning

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2020 Jonas Elm

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, Jakub Kubečka

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, Vitus Besel

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, Matias J. Jääskeläinen

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, Roope Halonen, Theo Kurtén, Hanna Vehkamäki

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Modeling the formation and growth of atmospheric molecular clusters: A review

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Vitus Besel

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, Jakub Kubečka

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, Hanna Vehkamäki

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Impact of Quantum Chemistry Parameter Choices and Cluster Distribution Model Settings on Modeled Atmospheric Particle Formation Rates

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Freja Rydahl Rasmussen, Jakub Kubečka

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, Vitus Besel

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, Hanna Vehkamäki

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, Kurt V. Mikkelsen

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ORCID

ORCID

Hydration of Atmospheric Molecular Clusters III: Procedure for Efficient Free Energy Surface Exploration of Large Hydrated Clusters

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Vitus Besel

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, Jakub Kubečka, Theo Kurtén, Hanna Vehkamäki

New Particle Formation Involving Charged Sulfuric Acid – Ammonia Clusters

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2019 Nanna Myllys

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, Jakub Kubečka

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, Vitus Besel

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, Dina Alfaouri, Tinja Olenius

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, James Norman Smith

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, Monica Passananti

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Role of base strength, cluster structure and charge in sulfuric-acid-driven particle formation

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Jakub Kubečka

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, Vitus Besel

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, Hanna Vehkamäki

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Configurational Sampling of Noncovalent (Atmospheric) Molecular Clusters: Sulfuric Acid and Guanidine

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Nanna Myllys, Jakub Kubečka, Vitus Besel

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, Dina Alfaouri, Tinja Olenius, James N. Smith, Monica Passananti

Supplementary material to "Role of Base Strength, Cluster Structure and Charge in Sulfuric Acid-Driven Particle Formation"

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Sebastian Reiter, Daniel Keefer, Vitus Besel

ORCID

, Regina de Vivie-Riedle

UV-induced DNA self-repair mechanism traced with quantum chemistry

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