B publications (books)
2023
Mechanical Behaviour of Metal-Organic Framework Materials , , The Royal Society of Chemistry , ISBN 9781839164088 , 2023
2020
The uncertainty pyramid for electronic-structure methods , , in "Uncertainty Quantification in Multiscale Materials Modeling", Eds. D.L. McDowell and Y. Wang, Elsevier , ISBN 9780081029411 , 2020
2017
A Theoretical Toolbox for a Better Catalytic Understanding , , Wiley-VCH , ISBN 978-3-527-339 , 2017
Modelling and Simulation in the Science of Micro- and Meso-Porous Materials , , Elsevier , ISBN 9780128050576 , 2017
2016
The Group Zoo of Classical Reversible Computing and Quantum Computing , , Springer , ISBN 978-3-319-33924 , 2016
2014
Reactivity of Aziridinium Salts in Different Solvents Unraveled by a Combined Theoretical and Experimental Approach , , Springer [De Proft, Frank, Geerlings, Paul (Eds.)] , ISBN 9783642451485 , 2014
"Uncovering radiation chemistry in the solid state through periodic density-functional calculations: confrontation with experimental results and beyond" in Applications of EPR in Radiation Research (Eds. A. Lund, M. Shiotani) , , Springer , ISBN 978-3319092157 , 2014
2006
Many-Body Theory Exposed! Propagator Description of Quantum Mechanics in Many-Body Systems , , World Scientific Publishing Company , ISBN 978-9812813794 , 2006