Enabling Smart Computations to study space RADiation effects

Deliverables

Websites, patent fillings, videos etc. (3)

Attraction TV/media

Whenever/if the occasion is presented: attraction of TV/media

Communication activities

Whenever the occasion is presented: organization of communication/outreach activities, at initiatives like Fête de la Science in Brussels and “open doors” day at BIRA. Website/Social media page: starting from month 6, we will start updating the website and the social media page regularly every two months

Website / Social media page

Website of the project created / Social media account (Facebook or Twitter) initiated

Publications

Book chapters (2)

Fundamentals of Monte Carlo particle transport and synergies with quantum dynamics for applications in ion-irradiated materials in Space and radiobiology

Author(s): F. Da Pieve, N. Koval, B. Gu, D. Munoz-Santiburcio, J. Teunissen, E. Artacho, J. Kohanoff, F. Cleri
Published in: Methods for electronic excitation studies, 2021
Publisher: Tumiee COST ACTION
DOI: 10.20868/upm.book.69109

Radiation effects on materials for lunar exploration and settlements: multiscale modelling,

Author(s): N. Koval, D. Munoz Santiburcio, J. Teunissen, B. Gu and F. Da Pieve
Published in: Lunar Science - Habitats and Humans, 2021, ISSN 1729-8814
Publisher: London: IntechOpen Limited

Conference proceedings (24)

Biophysical models of radiation damage for deep-space travellers

Author(s): F. Cleri
Published in: SPRINGER Paris, 6/02/2020, 2020
Publisher: Springer

Solvation Effects on Dissociative Electron Attachment to Thymine

Author(s): B. Gu and J. Kohanoff
Published in: 31st Miller Conference on Radiation Chemistry Workington, UK 2019, 2019, Page(s) 34
Publisher: Miller Conference on Radiation Chemistry

Towards parameter-free nanodosimetric quantities in the impact of highly ionizing radiation

Author(s): F. Da Pieve, N. Koval, B. Gu, D. Munoz-Santiburcio, J. Teunissen, F. Cleri, E. Artacho, J. Kohanoff
Published in: European Geophysical Union conference (EGU2021), 2021
Publisher: EGU
DOI: 10.5194/egusphere-egu21-16032

Radiation effects during human astrobiology-driven exploration of Mars and (some) challenges ahead

Author(s): F. Da Pieve
Published in: MODELLING THE BIOLOGICAL EFFECTS OF RADIATION: FROM EARTH STUDIES TO SPACE AND PLANETARY EXPLORATION, workshop organized by ESC2RAD, 2019
Publisher: MODELLING THE BIOLOGICAL EFFECTS OF RADIATION: FROM EARTH STUDIES TO SPACE AND PLANETARY EXPLORATION, workshop organized by ESC2RAD

Dosimetry in irradiated water

Author(s): J. Kohanoff
Published in: Workshop of the TUMIEE COST ACTION 17126 COST ACTION 17126, Madrid, Spain, November 19-20, 2018, 2018
Publisher: Meeting of the COST ACTION 17126: “Towards understanding and modelling intense electronic excitations”, Madrid

Radiation damage of biological matter from first-principles simulations

Author(s): J. Kohanoff
Published in: MODELLING THE BIOLOGICAL EFFECTS OF RADIATION: FROM EARTH STUDIES TO SPACE AND PLANETARY EXPLORATION. Lille, France, 2019
Publisher: MODELLING THE BIOLOGICAL EFFECTS OF RADIATION: FROM EARTH STUDIES TO SPACE AND PLANETARY EXPLORATION, workshop organized by ESC2RAD

Prospects for interdisciplinary efforts in the study of space radiation-induced effects in biomolecules in planetary science

Author(s): F. Da Pieve, B. Gu, N. E. Koval, G. Gronoff, D. Munoz-Santiburcio, J. Teunissen, J. GuO, E. Artacho, F. Cleri, A. C. Vandaele, and J. Kohanoff
Published in: Habitable Worlds (NASA) 2021, 2021
Publisher: AAS

Can low-energy electrons produce DNA strand breaks in the physiological environment ?

Author(s): J. Kohanoff
Published in: 3rd Congress of Polish Biosciences BIO2018: Through interdisciplinary approach into new solutions and 51st Meeting of the Polish Biochemical Society, Gdańsk, Poland, September 18-21, 2018, 2018
Publisher: 3rd Congress of Polish Biosciences BIO2018: Through interdisciplinary approach into new solutions and 51st Meeting of the Polish Biochemical Society, Gdańsk, Poland

Biological radiation damage at all scales: from the DNA to the cell

Author(s): F. Cleri
Published in: Lille Symposium on Modelling Approaches in Cancer Therapy, 26/09/2019, 2019
Publisher: Symposium on Modelling Approaches in Cancer Therapy

Inelastic scattering of protons and electrons by liquid water: a time-dependent density-functional theory approach to radiation damage

Author(s): N. Koval, P. Koval, F. Da Pieve, F. Cleri, J. Kohanoff, E. Artacho
Published in: Workshop COST ACTION TUMIEE 17126 Marseille (FR), 2021
Publisher: COST

Dissociative Electron Attachment in the Condensed phase: Caging effects

Author(s): J. Kohanoff
Published in: Milestones in Molecular Simulation, Imperial College London, London, UK 2019, 2019
Publisher: Milestones in Molecular Simulations, Imperial College, London

Radiation effects in Space missions: need for input for an European biological risks model

Author(s): F. Da Pieve
Published in: Workshop of the TUMIEE COST ACTION 17126 COST ACTION 17126, Madrid, Spain, November 19-20, 2018, 2018
Publisher: Meeting of the COST ACTION 17126: “Towards understanding and modelling intense electronic excitations”, Madrid

Radiation damage to DNA at all scales: from the nucleotide to the chromosome

Author(s): F. Cleri
Published in: MODELLING THE BIOLOGICAL EFFECTS OF RADIATION: FROM EARTH STUDIES TO SPACE AND PLANETARY EXPLORATION. Lille, France, 2019
Publisher: MODELLING THE BIOLOGICAL EFFECTS OF RADIATION: FROM EARTH STUDIES TO SPACE AND PLANETARY EXPLORATION, workshop organized by ESC2RAD

Electronic Stopping Power calculations via TDDFT

Author(s): J. Kohanoff
Published in: Workshop on Novel Methods for Eectronic Structure Calculations, La Plata, Argentina 2019, 2019
Publisher: VIII Workshop on novel methods for electronic structure calculations

Radiation risks during future human exploration of Mars

Author(s): F. Da Pieve, N. Koval, B. Gu, E. Artacho, J. Kohanoff
Published in: Space Weather research and applications: Cosmic Rays, Brussels, Belgium 2018, 2018
Publisher: Royal Observatory of Belgium, Brussels

Automated design of a structural descriptor for radiation resistant perovskites

Author(s): J. Teunissen and F. Da Pieve
Published in: WORKSHOP TOTAL ENERGY AND FORCE METHODS 2021, 2021, Page(s) abstract 135, page 151
Publisher: ICTP

Influence of electronic excitations on the formation of defects in GaAs

Author(s): D. Munoz-Santiburcio, N. Koval, E. Artacho, F. Da Pieve
Published in: WORKSHOP TOTAL ENERGY AND FORCE METHODS 2021, 2021, Page(s) abstract 96, page 109
Publisher: ICTP

Modelling radiation effects by combining Monte Carlo and (parameter-free) condensed matter approaches

Author(s): F. Da Pieve
Published in: MSL/RAD meeting, Kiel, Germany, June 4-5, 2019, 2019
Publisher: University of Kiel

Radiation environment and Habitability on Mars at Oxia Planum and Mawrth Vallis: influence of mineralogy, atmospheric depth and Solar activity

Author(s): F. Da Pieve, E. Botek, V. Pierrard, and A. C. Vandaele
Published in: European Geophysical Union Conference 2019, Wien, Austria, April 8-12, 2019, 2019
Publisher: EGU

Advancements in the Modelling of Radiation Effects on Solar Cells for Future Missions to Mars

Author(s): D. Munoz-Santiburcio, N. Koval, J. Teunissen, E. Artacho, F. Da Pieve
Published in: Space Weather workshop, 8th Annual IEEE Int. Conference on Wireless for Space and Extreme Environments 2020, 2020
Publisher: IEEE International Conference on Wireless for Space and Extreme Environments (WiSEE)

Electronic Stopping Power for Protons in Solar-Cell Materials from First-Principles Calculations

Author(s): N. Koval, F. Da Pieve, D. Munoz-Santiburcio, E. Artacho
Published in: 26th International Symposium on Ion-Atom Collisions (ISIAC), Paris, France 2019, 2019
Publisher: 26th International Symposium on Ion-Atom Collisions (ISIAC)

Exploration of perovskites as next generation solar cells in space and how to increasetheir structural stability

Author(s): J. Teunissen and F. Da Pieve
Published in: American Physical Society (APS) March meeting, 2021
Publisher: APS

Radiation-induced effects in solar cells for future space missions: a combined Monte Carlo and ab-initio study of proton impact, electronic stopping and threshold displacement energy

Author(s): F. Da Pieve, N. Koval, D. Munoz-Santiburcio, J. Teunissen and E. Artacho
Published in: American Physical Society (APS) March meeting, 2021
Publisher: APS

The time-dependent electronic response of liquid water to energetic ionic projectiles

Author(s): B. Gu
Published in: CP2K UK USERS' AND DEVELOPERS' MEETING, Molecular Sciences Research Hub (MSRH), Imperial College London, UK, 2019
Publisher: CP2K UK USERS' AND DEVELOPERS' MEETING, Molecular Sciences Research Hub (MSRH), Imperial College London, UK

Peer reviewed articles (7)

Ab initio electronic stopping power for protons in Ga 0.5 In 0.5 P/GaAs/Ge triple-junction solar cells for space applications

Author(s): Natalia E. Koval, Fabiana Da Pieve, Emilio Artacho
Published in: Royal Society Open Science, 7/11, 2020, Page(s) 200925, ISSN 2054-5703
Publisher: The Royal Society Publishing
DOI: 10.1098/rsos.200925

Molecular Bond Engineering and Feature Learning for the Design of Hybrid Organic-Inorganic Perovskites Solar Cells with Strong Non-Covalent Halogen-Cation Interactions

Author(s): J. Teunissen and F. Da Pieve
Published in: J. Phys. Chem. C, 125, 2021, ISSN 1932-7447
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcc.1c07295

Efficient ab initio calculation of electronic stopping in disordered systems via geometry pre-sampling: Application to liquid water

Author(s): Bin Gu, Brian Cunningham, Daniel Muñoz Santiburcio, Fabiana Da Pieve, Emilio Artacho, Jorge Kohanoff
Published in: The Journal of Chemical Physics, 153/3, 2020, Page(s) 034113, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0014276

Radiation Environment and Doses on Mars at Oxia Planum and Mawrth Vallis: Support for Exploration at Sites With High Biosignature Preservation Potential

Author(s): F. Da Pieve, G. Gronoff, J. Guo, C. J. Mertens, L. Neary, B. Gu, N. E. Koval, J. Kohanoff, A. C. Vandaele, F. Cleri
Published in: J. Geophys. Res.: Planets, 126, 2021, ISSN 2169-9097
Publisher: AGU
DOI: 10.1029/2020je006488

Bragg’s Additivity Rule and Core and Bond model studied by real-time TDDFT electronic stopping simulations: the case of water vapor

Author(s): B.Gu, D. Munoz Santiburcio, F. Da Pieve, F. Cleri, E. Artacho and J. Kohanoff
Published in: Radiation Physics and Chemistry, 2021, ISSN 0969-806X
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.radphyschem.2022.109961

Integration of electronic effects into molecular dynamics simulations of collision cascades in silicon from first-principles calculations

Author(s): T. Jarrin, N. Richard, J. Teunissen, F. Da Pieve, A. Hemeryck
Published in: Phys. Rev. B, 104, 2021, Page(s) 195203, ISSN 2469-9969
Publisher: American Physical Society
DOI: 10.1103/physrevb.104.195203

Dynamics of MeV electrons observed in the Inner Belt by PROBA‐V/EPT

Author(s): V. Pierrard, G. Lopez Rosson, and E. Botek
Published in: J. Geophys. Res.: Space Physics, 124, 2019, ISSN 2169-9402
Publisher: American Geophysical Union
DOI: 10.1029/2018ja026289