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Simulating Non-Equilibrium Dynamics of Atmospheric Multicomponent Clusters

Total Cost €


EC-Contrib. €






 DAMOCLES project word cloud

Explore the words cloud of the DAMOCLES project. It provides you a very rough idea of what is the project "DAMOCLES" about.

quantum    smallest    clusters    ice    aerosol    unquantifiable    unlike    hampers    spectrometric    thermodynamic    fluid    barriers    nanocluster    ambient    fundamental    model    genuine    hitherto    carlo    fate    composition    predicting    amount    air    cloud    condensable    lack    secondary    atmospheric    of    models    indirect    ways    estimates    play    mass    vastly    pollution    elemental    million    ionization    consistent    science    crystal    chemistry    charging    extracted    clustering    solvent    continuum    inside    deaths    attributed    purpose    damocles    forecasting    chemical    detect    size    particulate    instruments    monte    simulations    markov    environment    physico    concentrations    responsible    predictive    chain    climate    quality    principles    computational    building    instrument    predictions    accurate    dynamics    kinetic    molecular    crystals    cluster    particles    interactions    palette    distributions    regulating    gases    capacity    forcing    theoretical    spectrometers    reaction    equilibrium    kinetics    trace    particle   

Project "DAMOCLES" data sheet

The following table provides information about the project.


Organization address
postcode: 14

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Finland [FI]
 Project website
 Total cost 2˙390˙450 €
 EC max contribution 2˙390˙450 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2015-AdG
 Funding Scheme ERC-ADG
 Starting year 2016
 Duration (year-month-day) from 2016-06-01   to  2021-05-31


Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 


 Project objective

Atmospheric aerosol particles play a key role in regulating the climate, and particulate matter is responsible for most of the 7 million deaths per year attributed to air pollution. Lack of understanding of aerosol processes, especially the formation of ice crystals and secondary particles from condensable trace gases, hampers the development of air quality modelling, and remains one of the major uncertainties in predicting climate. The purpose of this project is to achieve a comprehensive understanding of atmospheric nanocluster and ice crystal formation based on fundamental physico-chemical principles. We will use a wide palette of theoretical methods including quantum chemistry, reaction kinetics, continuum solvent models, molecular dynamics, Monte Carlo simulations, Markov chain Monte Carlo methods, computational fluid dynamics, cluster kinetic and thermodynamic models. We will study non-equilibrium effects and kinetic barriers in atmospheric clustering, and use these to build cluster distribution models with genuine predictive capacity. Chemical ionization mass spectrometers can, unlike any other instruments, detect the elemental composition of many of the smallest clusters at ambient low concentrations. However, the charging process and the environment inside the instrument change the composition of the clusters in hitherto unquantifiable ways. We will solve this problem by building an accurate model for the fate of clusters inside mass spectrometers, which will vastly improve the amount and quality of information that can be extracted from mass spectrometric measurements in atmospheric science and elsewhere. DAMOCLES will produce reliable and consistent models for secondary aerosol and ice particle formation and growth. This will lead to improved predictions of aerosol concentrations and size distributions, leading to improved air quality forecasting, more accurate estimates of aerosol indirect climate forcing and other aerosol-cloud-climate interactions.


year authors and title journal last update
List of publications.
2018 Evgeni Zapadinsky, Monica Passananti, Nanna Myllys, Theo Kurtén, Hanna Vehkamäki
Modeling on Fragmentation of Clusters inside a Mass Spectrometer
published pages: 611-624, ISSN: 1089-5639, DOI: 10.1021/acs.jpca.8b10744
The Journal of Physical Chemistry A 123/2 2019-08-06
2019 Lauri Ahonen, Chenxi Li, Jakub Kubečka, Siddharth Iyer, Hanna Vehkamäki, Tuukka Petäjä, Markku Kulmala, Christopher. J. Hogan Jr
Ion Mobility-Mass Spectrometry of Iodine Pentoxide–Iodic Acid Hybrid Cluster Anions in Dry and Humidified Atmospheres
published pages: 1935-1941, ISSN: 1948-7185, DOI: 10.1021/acs.jpclett.9b00453
The Journal of Physical Chemistry Letters 10/8 2019-08-06
2019 Monica Passananti, Evgeni Zapadinsky, Tommaso Zanca, Juha Kangasluoma, Nanna Myllys, Matti P. Rissanen, Theo Kurtén, Mikael Ehn, Michel Attoui, Hanna Vehkamäki
How well can we predict cluster fragmentation inside a mass spectrometer?
published pages: 5946-5949, ISSN: 1359-7345, DOI: 10.1039/C9CC02896J
Chemical Communications 55/42 2019-08-05
2017 Tinja Olenius, Roope Halonen, Theo Kurtén, Henning Henschel, Oona Kupiainen-Määttä, Ismael K. Ortega, Coty N. Jen, Hanna Vehkamäki, Ilona Riipinen
New particle formation from sulfuric acid and amines: Comparison of monomethylamine, dimethylamine, and trimethylamine
published pages: 7103-7118, ISSN: 2169-897X, DOI: 10.1002/2017JD026501
Journal of Geophysical Research: Atmospheres 122/13 2019-06-13
2017 Jonas Elm, Monica Passananti, Theo Kurtén, Hanna Vehkamäki
Diamines Can Initiate New Particle Formation in the Atmosphere
published pages: 6155-6164, ISSN: 1089-5639, DOI: 10.1021/acs.jpca.7b05658
The Journal of Physical Chemistry A 121/32 2019-06-13
2017 Jonas Elm, Nanna Myllys, Tinja Olenius, Roope Halonen, Theo Kurtén, Hanna Vehkamäki
Formation of atmospheric molecular clusters consisting of sulfuric acid and C 8 H 12 O 6 tricarboxylic acid
published pages: 4877-4886, ISSN: 1463-9076, DOI: 10.1039/c6cp08127d
Physical Chemistry Chemical Physics 19/6 2019-06-13
2017 Nanna Myllys, Tinja Olenius, Theo Kurtén, Hanna Vehkamäki, Ilona Riipinen, Jonas Elm
Effect of Bisulfate, Ammonia, and Ammonium on the Clustering of Organic Acids and Sulfuric Acid
published pages: 4812-4824, ISSN: 1089-5639, DOI: 10.1021/acs.jpca.7b03981
The Journal of Physical Chemistry A 121/25 2019-06-13
2017 Hong-Bin Xie, Jonas Elm, Roope Halonen, Nanna Myllys, Theo Kurtén, Markku Kulmala, Hanna Vehkamäki
Atmospheric Fate of Monoethanolamine: Enhancing New Particle Formation of Sulfuric Acid as an Important Removal Process
published pages: 8422-8431, ISSN: 0013-936X, DOI: 10.1021/acs.est.7b02294
Environmental Science & Technology 51/15 2019-06-13
2016 Jonas Elm, Nanna Myllys, Theo Kurtén
Phosphoric acid – a potentially elusive participant in atmospheric new particle formation
published pages: 2168-2179, ISSN: 0026-8976, DOI: 10.1080/00268976.2016.1262558
Molecular Physics 115/17-18 2019-05-25
2018 Hao Li, Jie Zhong, Hanna Vehkamäki, Theo Kurtén, Weigang Wang, Maofa Ge, Shaowen Zhang, Zesheng Li, Xiuhui Zhang, Joseph S. Francisco, Xiao Cheng Zeng
Self-Catalytic Reaction of SO 3 and NH 3 To Produce Sulfamic Acid and Its Implication to Atmospheric Particle Formation
published pages: 11020-11028, ISSN: 0002-7863, DOI: 10.1021/jacs.8b04928
Journal of the American Chemical Society 140/35 2019-05-25
2018 Nanna Myllys, Tuomo Ponkkonen, Monica Passananti, Jonas Elm, Hanna Vehkamäki, Tinja Olenius
Guanidine: A Highly Efficient Stabilizer in Atmospheric New-Particle Formation
published pages: 4717-4729, ISSN: 1089-5639, DOI: 10.1021/acs.jpca.8b02507
The Journal of Physical Chemistry A 122/20 2019-05-25
2018 Roope Halonen, Evgeni Zapadinsky, Hanna Vehkamäki
Deviation from equilibrium conditions in molecular dynamic simulations of homogeneous nucleation
published pages: 164508, ISSN: 0021-9606, DOI: 10.1063/1.5023304
The Journal of Chemical Physics 148/16 2019-05-25
2017 Jonas Elm, Nanna Myllys, Theo Kurtén
What Is Required for Highly Oxidized Molecules To Form Clusters with Sulfuric Acid?
published pages: 4578-4587, ISSN: 1089-5639, DOI: 10.1021/acs.jpca.7b03759
The Journal of Physical Chemistry A 121/23 2019-05-25
2018 Viivi Hirvonen, Nanna Myllys, Theo Kurtén, Jonas Elm
Closed-Shell Organic Compounds Might Form Dimers at the Surface of Molecular Clusters
published pages: 1771-1780, ISSN: 1089-5639, DOI: 10.1021/acs.jpca.7b11970
The Journal of Physical Chemistry A 122/6 2019-05-25
2018 Ling Liu, Oona Kupiainen-Määttä, Haijie Zhang, Hao Li, Jie Zhong, Theo Kurtén, Hanna Vehkamäki, Shaowen Zhang, Yunhong Zhang, Maofa Ge, Xiuhui Zhang, Zesheng Li
Clustering mechanism of oxocarboxylic acids involving hydration reaction: Implications for the atmospheric models
published pages: 214303, ISSN: 0021-9606, DOI: 10.1063/1.5030665
The Journal of Chemical Physics 148/21 2019-05-25
2018 Anni Määttänen, Joonas Merikanto, Henning Henschel, Jonathan Duplissy, Risto Makkonen, Ismael K. Ortega, Hanna Vehkamäki
New Parameterizations for Neutral and Ion-Induced Sulfuric Acid-Water Particle Formation in Nucleation and Kinetic Regimes
published pages: 1269-1296, ISSN: 2169-897X, DOI: 10.1002/2017JD027429
Journal of Geophysical Research: Atmospheres 123/2 2019-05-25

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