Jakub Kubečka

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 23

Top Venues

The journal of physical chemistry. A

Nature computational science

Environmental science. Advances

RSC advances

Charles University, Faculty of Science

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Charles University, Faculty of Science

Czechia

student :: Department of Physical and Macromolecular Chemistry

Publications

Jakub Kubečka, Daniel Ayoubi, Zeyuan Tang, Yosef Knattrup, Morten Engsvang, Haide Wu, Jonas Elm
Accurate modeling of the potential energy surface of atmospheric molecular clusters boosted by neural networks. Environmental science. Advances (2024)
Yosef Knattrup, Jakub Kubečka, Haide Wu, Frank Jensen, Jonas Elm
Reparameterization of GFN1-xTB for atmospheric molecular clusters: applications to multi-acid-multi-base systems. RSC advances 14 (28) (2024)
Jakub Kubečka, Daniel Ayoubi, Zeyuan Tang, Yosef Knattrup, Morten Engsvang, Haide Wu, Jonas Elm
Accurate modeling of the potential energy surface of atmospheric molecular clusters boosted by neural networks. Environmental science. Advances (2024)
Yosef Knattrup, Jakub Kubečka, Haide Wu, Frank Jensen, Jonas Elm
Reparameterization of GFN1-xTB for atmospheric molecular clusters: applications to multi-acid-multi-base systems. RSC advances 14 (28) (2024)
Antti Toropainen, Juha Kangasluoma, Hanna Vehkamäki, Jakub Kubečka
Heterogeneous Ion-Induced Nucleation of Water and Butanol Vapors Studied via Computational Quantum Chemistry beyond Prenucleation and Critical Cluster Sizes. The journal of physical chemistry. A (2023)
Jakub Kubečka, Ivo Neefjes, Vitus Besel, Fukang Qiao, Hong-Bin Xie, Jonas Elm
Atmospheric Sulfuric Acid-Multi-Base New Particle Formation Revealed through Quantum Chemistry Enhanced by Machine Learning. The journal of physical chemistry. A 127 (9) (2023)
Jakub Kubečka, Yosef Knattrup, Morten Engsvang, Andreas Buchgraitz Jensen, Daniel Ayoubi, Haide Wu, Ove Christiansen, Jonas Elm
Current and future machine learning approaches for modeling atmospheric cluster formation. Nature computational science 3 (6) (2023)
Antti Toropainen, Juha Kangasluoma, Hanna Vehkamäki, Jakub Kubečka
Heterogeneous Ion-Induced Nucleation of Water and Butanol Vapors Studied via Computational Quantum Chemistry beyond Prenucleation and Critical Cluster Sizes. The journal of physical chemistry. A 127 (18) (2023)
Jakub Kubečka, Yosef Knattrup, Morten Engsvang, Andreas Buchgraitz Jensen, Daniel Ayoubi, Haide Wu, Ove Christiansen, Jonas Elm
Current and future machine learning approaches for modeling atmospheric cluster formation. Nature computational science 3 (6) (2023)
Jakub Kubečka, Ivo Neefjes, Vitus Besel, Fukang Qiao, Hong-Bin Xie, Jonas Elm
Atmospheric Sulfuric Acid-Multi-Base New Particle Formation Revealed through Quantum Chemistry Enhanced by Machine Learning. The journal of physical chemistry. A (2023)
Jakub Kubečka, Yosef Knattrup, Morten Engsvang, Andreas Buchgraitz Jensen, Daniel Ayoubi, Haide Wu, Ove Christiansen, Jonas Elm
Current and future machine learning approaches for modeling atmospheric cluster formation. Nature computational science 3 (6) (2023)
Jakub Kubečka, Vitus Besel, Ivo Neefjes, Yosef Knattrup, Theo Kurtén, Hanna Vehkamäki, Jonas Elm
Computational Tools for Handling Molecular Clusters: Configurational Sampling, Storage, Analysis, and Machine Learning. ACS omega 8 (47) (2023)
Antti Toropainen, Juha Kangasluoma, Hanna Vehkamäki, Jakub Kubečka
Heterogeneous Ion-Induced Nucleation of Water and Butanol Vapors Studied via Computational Quantum Chemistry beyond Prenucleation and Critical Cluster Sizes. The journal of physical chemistry. A 127 (18) (2023)
Antti Toropainen, Juha Kangasluoma, Hanna Vehkamäki, Jakub Kubečka
Heterogeneous Ion-Induced Nucleation of Water and Butanol Vapors Studied via Computational Quantum Chemistry beyond Prenucleation and Critical Cluster Sizes. The journal of physical chemistry. A 127 (18) (2023)
Jakub Kubečka, Yosef Knattrup, Morten Engsvang, Andreas Buchgraitz Jensen, Daniel Ayoubi, Haide Wu, Ove Christiansen, Jonas Elm
Current and future machine learning approaches for modeling atmospheric cluster formation. Nature computational science 3 (6) (2023)
Freja Rydahl Rasmussen, Jakub Kubečka, Jonas Elm
Contribution of Methanesulfonic Acid to the Formation of Molecular Clusters in the Marine Atmosphere. The journal of physical chemistry. A 126 (40) (2022)
Andreas Buchgraitz Jensen, Jakub Kubečka, Gunnar Schmitz, Ove Christiansen, Jonas Elm
Massive Assessment of the Binding Energies of Atmospheric Molecular Clusters. Journal of chemical theory and computation (2022)
Kayane K Dingilian, Martina Lippe, Jakub Kubečka, Jan Krohn, Chenxi Li, Roope Halonen, Fatemeh Keshavarz, Bernhard Reischl, Theo Kurtén, Hanna Vehkamäki, Ruth Signorell, Barbara E Wyslouzil
New Particle Formation from the Vapor Phase: From Barrier-Controlled Nucleation to the Collisional Limit. The journal of physical chemistry letters 12 (19) (2021)
Antti Toropainen, Juha Kangasluoma, Theo Kurtén, Hanna Vehkamäki, Fatemeh Keshavarz, Jakub Kubečka
Heterogeneous Nucleation of Butanol on NaCl: A Computational Study of Temperature, Humidity, Seed Charge, and Seed Size Effects. The journal of physical chemistry. A 125 (14) (2021)
Freja Rydahl Rasmussen, Jakub Kubečka, Vitus Besel, Hanna Vehkamäki, Kurt V Mikkelsen, Merete Bilde, Jonas Elm
Hydration of Atmospheric Molecular Clusters III: Procedure for Efficient Free Energy Surface Exploration of Large Hydrated Clusters. The journal of physical chemistry. A 124 (25) (2020)
Galib Hasan, Vili-Taneli Salo, Rashid R Valiev, Jakub Kubečka, Theo Kurtén
Comparing Reaction Routes for 3(RO···OR') Intermediates Formed in Peroxy Radical Self- and Cross-Reactions. The journal of physical chemistry. A 124 (40) (2020)
Vitus Besel, Jakub Kubečka, Theo Kurtén, Hanna Vehkamäki
Impact of Quantum Chemistry Parameter Choices and Cluster Distribution Model Settings on Modeled Atmospheric Particle Formation Rates. The journal of physical chemistry. A 124 (28) (2020)
Jakub Kubečka, Vitus Besel, Theo Kurtén, Nanna Myllys, Hanna Vehkamäki
Configurational Sampling of Noncovalent (Atmospheric) Molecular Clusters: Sulfuric Acid and Guanidine. The journal of physical chemistry. A 123 (28) (2019)

Jakub Kubečka.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Jakub Kubečka