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Enabling Smart Computations to study space RADiation effects

Deliverables

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

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

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

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, Issue 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, Issue 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, Issue 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, Issue 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, Issue 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, Issue 124, 2019, ISSN 2169-9402
Publisher: American Geophysical Union
DOI: 10.1029/2018ja026289

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