Jos L. Teunissen

Acceleration of Inverse Molecular Design by Using Predictive Techniques

Freija De Vleeschouwer, Frank De Proft, Jos L. Teunissen, 2019, J. Chem. Inf. Model..

Tuning the HOMO-LUMO Energy Gap of Small Diamondoids Using Inverse Molecular Design.

Jos L. Teunissen, F. De Proft, Freija De Vleeschouwer, 2017, Journal of chemical theory and computation.

Integration of electronic effects into molecular dynamics simulations of collision cascades in silicon from first-principles calculations

Jos L. Teunissen, N. Richard, A. Hémeryck, 2021, Physical Review B.

Fine-Tuning of Nonlinear Optical Contrasts of Hexaphyrin-Based Molecular Switches Using Inverse Design

Jos L. Teunissen, M. Alonso, T. Woller, 2021, Frontiers in Chemistry.

Molecular Bond Engineering and Feature Learning for the Design of Hybrid OrganicInorganic Perovskite Solar Cells with Strong Noncovalent HalogenCation Interactions

Jos L. Teunissen, F. Da Pieve, 2021, The Journal of Physical Chemistry C.

Particle on a boron disk: ring currents and disk aromaticity in B20(2-).

Truong Ba Tai, Jos L. Teunissen, A. Ceulemans, 2013, Inorganic chemistry.

Effect of electronic stopping in molecular dynamics simulations of collision cascades in gallium arsenide

Jos L. Teunissen, E. Artacho, F. Cleri, 2023, Physical Review Materials.

Tools for investigating electronic excitation: experiment and multi-scale modelling

Jos L. Teunissen, J. Siegel, M. Ynsa, 2021 .