Computational Tools for Handling Molecular Clusters: Configurational Sampling, Storage, Analysis, and Machine Learning
(opens in new window)
Author(s):
Jakub Kubečka; Vitus Besel; Ivo Neefjes; Yosef Knattrup; Theo Kurtén; Hanna Vehkamäki; Jonas Elm
Published in:
ACS Omega, Issue 47, 2023, ISSN 2470-1343
Publisher:
American Chemical Society
DOI:
10.26434/CHEMRXIV-2023-WZN14
Modeling Local Aerosol Surface Environments: Clustering of Pyruvic Acid Analogs, Water, and Na<sup>+</sup>, Cl<sup>–</sup> Ions
(opens in new window)
Author(s):
Georg Baadsgaard Trolle; Jakub Kubečka; Jonas Elm
Published in:
ACS Omega, Issue 10/1, 2025, ISSN 2470-1343
Publisher:
American Chemical Society
DOI:
10.1021/ACSOMEGA.4C09196
RSC Advances
(opens in new window)
Author(s):
Yosef Knattrup; Jakub Kubečka; Haide Wu; Frank Jensen; Jonas Elm
Published in:
RSC Advances, Issue 14, 2024, ISSN 2046-2069
Publisher:
Royal Society of Chemistry
DOI:
10.26434/CHEMRXIV-2024-VNH4K
Accurate modeling of the potential energy surface of atmospheric molecular clusters boosted by neural networks
(opens in new window)
Author(s):
Jakub Kubečka; Daniel Ayoubi; Zeyuan Tang; Yosef Knattrup; Morten Engsvang; Haide Wu; Jonas Elm
Published in:
Environmental Science: Advances, Issue 3, 2024, ISSN 2754-7000
Publisher:
The Royal Society of Chemistry
DOI:
10.26434/CHEMRXIV-2024-FJ8S9
Improved Configurational Sampling Protocol for Large Atmospheric Molecular Clusters
(opens in new window)
Author(s):
Haide Wu; Morten Engsvang; Yosef Knattrup; Jakub Kubečka; Jonas Elm
Published in:
ACS Omega, Issue 47, 2023, ISSN 2470-1343
Publisher:
American Chemical Society
DOI:
10.26434/CHEMRXIV-2023-6PNRH
On the dependence of electrical mobility on temperature, humidity and structure of alkylammonium ions
(opens in new window)
Author(s):
Xuemeng Chen, Juha Kangasluoma, Jakub Kubečka, Ivo Neefjes, Hanna Vehkamäki, Markku Kulmala, Amirreza Tootchi, Farah Mubas Sirah, Leyan Hua, Carlos Larriba-Andaluz, Heikki Junninen
Published in:
Journal of Aerosol Science, Issue 179, 2024, ISSN 0021-8502
Publisher:
Elsevier BV
DOI:
10.1016/J.JAEROSCI.2024.106353