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)

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)

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)

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)

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,

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) 

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) (

You can find Open datasets corresponding to some of our publications here:  J. Geophys. Res. : Planets 126 (1) e2020JE006488 (2021)  J. Phys. Chem. C 125 (45), 25316 (2021)  Royal Society Open Science 7, 200925 (2020)
Contact: BIRA-IASB, Av. Circulaire 3, Brussels, Belgium.