Roope Halonen

Assistant Professor

Email: roope.halonen@nju.edu.cn [note that this email account has been applied but it is not open yet]

Dr. Roope Halonen joined the Nanjing-Helsinki Institute in Atmospheric and Earth System Sciences at Nanjing University in November 2024. His research focuses on theoretical and computational modeling of atmospheric nucleation, with a focus on molecular cluster properties and clustering mechanisms central to atmospheric aerosol formation. Students interested in master’s or doctoral research in these areas are encouraged to reach out for discussions on potential opportunities.

Work Experience:

2021.12–2024.10 Postdoctoral researcher / Special Associate Researcher, Center for Joint Quantum Studies, School of Science, Tianjin University

2014.5–2017.5 Research Assistant, Division of Atmospheric Sciences, Department of Physics, University of Helsinki

Educational Background:

2021.4 Doctor of Philosophy (with distinction), University of Helsinki

2016.10 Master of Science, University of Helsinki

2016.1 Bachelor of Science, University of Helsinki

Research Interests:

Gas-phase kinetics and cluster growth dynamics

Numerical modeling of atmospheric cluster formation (e.g., ACDC code)

Molecular simulations (e.g., molecular dynamics, Monte Carlo)

Cluster thermodynamics, statistical mechanics, and quantum chemistry

Classical nucleation theory

Teaching Activities:

TBD

Selected Publications:

Halonen R*; "Atomistic insights into argon clusters and nucleation dynamics"; Journal of Aerosol Science; 181; 106406; 2024. https://doi.org/10.1016/j.jaerosci.2024.106406

Halonen R*; "Assessment of Anharmonicities in Clusters: Developing and Validating a Minimum-Information Partition Function"; Journal of Chemical Theory and Computation; 20; 4099-4114; 2024. https://doi.org/10.1021/acs.jctc.4c00121

Halonen R*, Neefjes I, Reischl B; "Further cautionary tales on thermostatting in molecular dynamics: Energy equipartitioning and non-equilibrium processes in gas-phase simulations"; Journal of Chemical Physics; 158; 194301; 2023. https://doi.org/10.1063/5.0148013

Halonen R*; " Comments on "The proper view of cluster free energy in nucleation theories" by Runlong Cai and Juha Kangasluoma"; Aerosol Science and Technology; 56; 976-979; 2022. https://doi.org/10.1080/02786826.2022.2114310

Neefjes I, Halonen R*, Vehkamäki H, Reischl B; "Modeling approaches for atmospheric ion–dipole collisions: all-atom trajectory simulations and central field methods"; Atmospheric Chemistry and Physics; 22; 11155-11172; 2022. https://doi.org/10.5194/acp-22-11155-2022

Halonen R*; "A consistent formation free energy definition for multicomponent clusters in quantum thermochemistry"; Journal of Aerosol Science; 162; 105974; 2022. https://doi.org/ 10.1016/j.jaerosci.2022.105974

Tikkanen V, Reischl B, Vehkamäki H, Halonen R*; "Nonisothermal nucleation in the gas phase is driven by cool subcritical clusters"; Proceedings of the National Academy of Sciences; 119; e2201955119; 2022. https://doi.org/10.1073/pnas.2201955119

Halonen R*, Tikkanen V, Reischl B, Dingilian KK, Wyslouzil BE, Vehkamäki H; "Homogeneous nucleation of carbon dioxide in supersonic nozzles II: molecular dynamics simulations and properties of nucleating clusters"; Physical Chemistry Chemical Physics; 23; 4517-4529; 2021. https://doi.org/10.1039/d0cp05653g

Halonen R*, Zapadinsky E, Kurtén T, Vehkamäki H, Reischl B; "Rate enhancement in collisions of sulfuric acid molecules due to long-range intermolecular forces"; Atmospheric Chemistry and Physics; 19; 13355-13366; 2019. https://doi.org/10.5194/acp-19-13355-2019

Halonen R*, Zapadinsky E, Vehkamäki H; "Deviation from equilibrium conditions in molecular dynamic simulations of homogeneous nucleation"; Journal of Chemical Physics; 148; 164508; 2018. https://doi.org/10.1063/1.5023304