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Previous colloquia 2025–26

2026-01-20

Hillert Materials Modeling Colloquium series XXVI: Surface Energetics and Growth Mechanisms in Oxide Nanostructures

Professor Denis Music examines how tiny oxide structures form and how they can power next-generation thermoelectric devices and sensors. His work combines theory, experiments, and advanced simulations. In this seminar, he highlights how nanostructured oxides grow, how their surfaces and interfaces behave, and how machine-learning methods can model these processes efficiently. He also discusses how surface forces and growth dynamics shape the complex nanostructures that enable future advanced materials.

Watch at KTH Play: Surface Energetics and Growth Mechanisms in Oxide Nanostructures

2025-04-15

Hillert Materials Modeling Colloquium series XXV: Unconventional metal solid solution discovered through DFT calculations

Professor Qing-Miao Hu talks about the theoretical evidences on the off-center occupation of the solute atom in a dilute metal solid solution – findings challenging previous consensus on the intact group symmetry in these scenarios. He describes the physics underlying this new perspective, and the peculiar properties it may cause.

Watch at KTH Play: Unconventional metal solid solution discovered through DFT calculations

2025-01-21

Hillert Materials Modeling Colloquium series XXIV: Theoretical simulations of materials at extreme conditions – towards knowledge-based design of metastable materials with advanced functionality

In this talk, Professor Igor Abrikosov demonstrates the capabilities of state-of-the-art theoretical simulations to verify the crystal structure of compounds discovered in HPHT experiments, predict their (meta-)stability under ambient conditions, and disclose materials properties that are attractive for applications. These simulations can, for instance, be useful for material synthesis under TPa compression and temperatures above 2000 K, as well as for the development of new materials with exciting crystal chemistry and physical properties.

Watch the seminar at KTH Play: Theoretical simulations of materials at extreme conditions