Enabling Smart Computations to study space RADiation effects

Leistungen

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

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

Veröffentlichungen

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

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

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

Autoren: N. Koval, D. Munoz Santiburcio, J. Teunissen, B. Gu and F. Da Pieve
Veröffentlicht in: Lunar Science - Habitats and Humans, 2021, ISSN 1729-8814
Herausgeber: London: IntechOpen Limited

Biophysical models of radiation damage for deep-space travellers

Autoren: F. Cleri
Veröffentlicht in: SPRINGER Paris, 6/02/2020, 2020
Herausgeber: Springer

Solvation Effects on Dissociative Electron Attachment to Thymine

Autoren: B. Gu and J. Kohanoff
Veröffentlicht in: 31st Miller Conference on Radiation Chemistry Workington, UK 2019, 2019, Seite(n) 34
Herausgeber: Miller Conference on Radiation Chemistry

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

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

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

Autoren: F. Da Pieve
Veröffentlicht in: MODELLING THE BIOLOGICAL EFFECTS OF RADIATION: FROM EARTH STUDIES TO SPACE AND PLANETARY EXPLORATION, workshop organized by ESC2RAD, 2019
Herausgeber: MODELLING THE BIOLOGICAL EFFECTS OF RADIATION: FROM EARTH STUDIES TO SPACE AND PLANETARY EXPLORATION, workshop organized by ESC2RAD

Dosimetry in irradiated water

Autoren: J. Kohanoff
Veröffentlicht in: Workshop of the TUMIEE COST ACTION 17126 COST ACTION 17126, Madrid, Spain, November 19-20, 2018, 2018
Herausgeber: Meeting of the COST ACTION 17126: “Towards understanding and modelling intense electronic excitations”, Madrid

Radiation damage of biological matter from first-principles simulations

Autoren: J. Kohanoff
Veröffentlicht in: MODELLING THE BIOLOGICAL EFFECTS OF RADIATION: FROM EARTH STUDIES TO SPACE AND PLANETARY EXPLORATION. Lille, France, 2019
Herausgeber: 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

Autoren: 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
Veröffentlicht in: Habitable Worlds (NASA) 2021, 2021
Herausgeber: AAS

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

Autoren: J. Kohanoff
Veröffentlicht 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
Herausgeber: 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

Autoren: F. Cleri
Veröffentlicht in: Lille Symposium on Modelling Approaches in Cancer Therapy, 26/09/2019, 2019
Herausgeber: 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

Autoren: N. Koval, P. Koval, F. Da Pieve, F. Cleri, J. Kohanoff, E. Artacho
Veröffentlicht in: Workshop COST ACTION TUMIEE 17126 Marseille (FR), 2021
Herausgeber: COST

Dissociative Electron Attachment in the Condensed phase: Caging effects

Autoren: J. Kohanoff
Veröffentlicht in: Milestones in Molecular Simulation, Imperial College London, London, UK 2019, 2019
Herausgeber: Milestones in Molecular Simulations, Imperial College, London

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

Autoren: F. Da Pieve
Veröffentlicht in: Workshop of the TUMIEE COST ACTION 17126 COST ACTION 17126, Madrid, Spain, November 19-20, 2018, 2018
Herausgeber: 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

Autoren: F. Cleri
Veröffentlicht in: MODELLING THE BIOLOGICAL EFFECTS OF RADIATION: FROM EARTH STUDIES TO SPACE AND PLANETARY EXPLORATION. Lille, France, 2019
Herausgeber: MODELLING THE BIOLOGICAL EFFECTS OF RADIATION: FROM EARTH STUDIES TO SPACE AND PLANETARY EXPLORATION, workshop organized by ESC2RAD

Electronic Stopping Power calculations via TDDFT

Autoren: J. Kohanoff
Veröffentlicht in: Workshop on Novel Methods for Eectronic Structure Calculations, La Plata, Argentina 2019, 2019
Herausgeber: VIII Workshop on novel methods for electronic structure calculations

Radiation risks during future human exploration of Mars

Autoren: F. Da Pieve, N. Koval, B. Gu, E. Artacho, J. Kohanoff
Veröffentlicht in: Space Weather research and applications: Cosmic Rays, Brussels, Belgium 2018, 2018
Herausgeber: Royal Observatory of Belgium, Brussels

Automated design of a structural descriptor for radiation resistant perovskites

Autoren: J. Teunissen and F. Da Pieve
Veröffentlicht in: WORKSHOP TOTAL ENERGY AND FORCE METHODS 2021, 2021, Seite(n) abstract 135, page 151
Herausgeber: ICTP

Influence of electronic excitations on the formation of defects in GaAs

Autoren: D. Munoz-Santiburcio, N. Koval, E. Artacho, F. Da Pieve
Veröffentlicht in: WORKSHOP TOTAL ENERGY AND FORCE METHODS 2021, 2021, Seite(n) abstract 96, page 109
Herausgeber: ICTP

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

Autoren: F. Da Pieve
Veröffentlicht in: MSL/RAD meeting, Kiel, Germany, June 4-5, 2019, 2019
Herausgeber: University of Kiel

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

Autoren: F. Da Pieve, E. Botek, V. Pierrard, and A. C. Vandaele
Veröffentlicht in: European Geophysical Union Conference 2019, Wien, Austria, April 8-12, 2019, 2019
Herausgeber: EGU

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

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

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

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

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

Autoren: J. Teunissen and F. Da Pieve
Veröffentlicht in: American Physical Society (APS) March meeting, 2021
Herausgeber: 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

Autoren: F. Da Pieve, N. Koval, D. Munoz-Santiburcio, J. Teunissen and E. Artacho
Veröffentlicht in: American Physical Society (APS) March meeting, 2021
Herausgeber: APS

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

Autoren: B. Gu
Veröffentlicht in: CP2K UK USERS' AND DEVELOPERS' MEETING, Molecular Sciences Research Hub (MSRH), Imperial College London, UK, 2019
Herausgeber: 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

Autoren: Natalia E. Koval, Fabiana Da Pieve, Emilio Artacho
Veröffentlicht in: Royal Society Open Science, Ausgabe 7/11, 2020, Seite(n) 200925, ISSN 2054-5703
Herausgeber: 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

Autoren: J. Teunissen and F. Da Pieve
Veröffentlicht in: J. Phys. Chem. C, Ausgabe 125, 2021, ISSN 1932-7447
Herausgeber: 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

Autoren: Bin Gu, Brian Cunningham, Daniel Muñoz Santiburcio, Fabiana Da Pieve, Emilio Artacho, Jorge Kohanoff
Veröffentlicht in: The Journal of Chemical Physics, Ausgabe 153/3, 2020, Seite(n) 034113, ISSN 0021-9606
Herausgeber: 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

Autoren: F. Da Pieve, G. Gronoff, J. Guo, C. J. Mertens, L. Neary, B. Gu, N. E. Koval, J. Kohanoff, A. C. Vandaele, F. Cleri
Veröffentlicht in: J. Geophys. Res.: Planets, Ausgabe 126, 2021, ISSN 2169-9097
Herausgeber: 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

Autoren: B.Gu, D. Munoz Santiburcio, F. Da Pieve, F. Cleri, E. Artacho and J. Kohanoff
Veröffentlicht in: Radiation Physics and Chemistry, 2021, ISSN 0969-806X
Herausgeber: 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

Autoren: T. Jarrin, N. Richard, J. Teunissen, F. Da Pieve, A. Hemeryck
Veröffentlicht in: Phys. Rev. B, Ausgabe 104, 2021, Seite(n) 195203, ISSN 2469-9969
Herausgeber: American Physical Society
DOI: 10.1103/physrevb.104.195203

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

Autoren: V. Pierrard, G. Lopez Rosson, and E. Botek
Veröffentlicht in: J. Geophys. Res.: Space Physics, Ausgabe 124, 2019, ISSN 2169-9402
Herausgeber: American Geophysical Union
DOI: 10.1029/2018ja026289

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