Bruno Mladineo | Modelling and Theory of Materials

BEST-CSP Benchmark Study of Polymorphs I and II of Sulfamerazine and the Perils of Polytype Polymorphs

Wed, 07 Jan 2026 00:00:00 +0000

Bruno Mladineo

Wed, 07 Jan 2026 00:00:00 +0000

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.

Illustrating Extreme Negative Linear Compressibility in Thermosalient Molecular Crystals

Mon, 22 Sep 2025 00:00:00 +0000

Photoinduced dynamics of CO on Ru (0001): Understanding experiments by simulations with all degrees of freedom

Mon, 28 Jul 2025 00:00:00 +0000

Multidimensional Neural Network Interatomic Potentials for CO on NaCl (100)

Tue, 26 Nov 2024 00:00:00 +0000

Thermosalient phase transitions from machine learning interatomic potential

Mon, 07 Oct 2024 00:00:00 +0000

Crystal structure prediction of quasi-two-dimensional lead halide perovskites

Mon, 15 May 2023 00:00:00 +0000