About

On December 16 2025, Bruno Mladineo defended his PhD thesis:
Modelling of Complex Materials Using Machine-Learned Interatomic Potentials.

Supervised by Ivor Lončarić, Bruno employed machine-learned interatomic potentials to investigate organic molecular crystals with extreme anisotropic thermal expansion and thermosalient phase transitions, as well as femtosecond laser-induced dynamics of molecules on metallic surfaces.

Click here to read more and download the thesis.

In 2021, Bruno defended his master’s thesis, also supervised by Ivor Lončarić. His master thesis dealt with the Structure and Properties of Two-Dimensional Dion-Jacobson Perovskites.

Bruno (co-)authored six scientific publications.

Bruno was a research assistant in the Modelling and Theory of Materials Group from 2021 to 2025.

2025

1
(2025). Illustrating Extreme Negative Linear Compressibility in Thermosalient Molecular Crystals. Crystal Growth & Design.
2
(2025). Photoinduced dynamics of CO on Ru (0001): Understanding experiments by simulations with all degrees of freedom. The Journal of Chemical Physics.

2024

1
(2024). Multidimensional Neural Network Interatomic Potentials for CO on NaCl (100). The Journal of Physical Chemistry C.
2
(2024). Thermosalient phase transitions from machine learning interatomic potential. Crystal Growth & Design.

2023

1
(2023). Crystal structure prediction of quasi-two-dimensional lead halide perovskites. Physical Review B.