Here a list of our publications ... but stay tuned ! many are still to come ! You can also find a list of open datasets.

Efficient ab initio calculation of electronic stopping in disordered systems via geometry pre-sampling: application to liquid water
Bin Gu, Brian Cunningham, Daniel Muñoz-Santiburcio, Fabiana Da Pieve, Emilio Artacho, Jorge Kohanoff,
J. Chem. Phys. 153, 034113 (2020) https://aip.scitation.org/doi/10.1063/5.0014276 ,  https://arxiv.org/abs/2006.12410

Ab initio electronic stopping power for protons in Ga0.5In0.5P/GaAs/Ge triple-junction solar cells for space applications
N. Koval, F. Da Pieve and E. Artacho,
Royal Society Open Science 7, 200925 (2020) https://royalsocietypublishing.org/doi/10.1098/rsos.200925

Radiation environment and doses on Mars at Oxia Planum and Mawrth Vallis: support for human exploration at sites with high biosignature preservation potential
F. Da Pieve, G. Gronoff, J. GuO, L. Neary, C. Mertens, J. Kohanoff, B. Gu, N.K oval , A.C. Vandaele and F. Cleri,
J. Geophys. Res. : Planets 126 (1) e2020JE006488 (2021) https://agupubs.onlinelibrary.wiley.com/doi/full/10.1029/2020JE006488

Molecular Bond Engineering and Feature Learning for the Design of Hybrid Organic-Inorganic Perovskite Solar Cells with Strong Noncovalent Halogen-Cation Interactions
J.L. Teunissen and F. Da Pieve
The Journal of Physical Chemistry C 125 (45), 25316 (2021) https://pubs.acs.org/doi/10.1021/acs.jpcc.1c07295 , https://arxiv.org/abs/2111.02081

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

F Da Pieve, N Koval, B Gu, D Muñoz-Santiburcio, J Teunissen, E Artacho, J. Kohanoff and F. Cleri, Chapter 14 in the book "Tools for investigating electronic excitations: experiments and multi-scale modeling", ed. By T. Apostokova, J. Kohanoff, N. Medvedev, E. Oliva and A. Rivera, Lectures of the TUIEE COST ACTION 17126,  https://oa.upm.es/69109/

Integration of electronic effects into molecular dynamics simulations of collision cascades in silicon from first-principles calculations
T Jarrin, N Richard, J Teunissen, F Da Pieve, A Hémeryck
Physical Review B 104 (19), 195203 (2021) https://journals.aps.org/prb/abstract/10.1103/PhysRevB.104.195203 , https://www.researchgate.net/publication/356616081_Integration_of_electronic_effects_into_molecular_dynamics_simulations_of_collision_cascades_in_silicon_from_first-principles_calculations 

Bragg's Additivity Rule and Core and Bond model studied by real-time TDDFT electronic stopping simulations: the case of water vapor
B. Gu, D. Muñoz-Santiburcio, F. Da Pieve, F. Cleri, E. Artacho, J. Kohanoff,

submitted to Rad. Chem.Phys. (2021)

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

V. Pierrard, G. Lopez Rosson, E. Botek Journal of Geophysical Research: Space Physics 124 (2019) (http://arxiv.org/abs/1903.12198)