Inorganic Materials Modelling
Our research areas
1. Pyroelectric and thermoelectric materials for improving energy efficiency
The aim of our computational studies is to discover new inorganic materials for improving energy efficiency via pyroelectric and thermoelectric applications (direct conversion of waste heat to electricity). Within this topic, we study for example d-metal oxides, perovskite oxides, and their mixed-anion derivatives.
2. New materials based on main group elements
Within this topic we investigate for example fluorine-based materials (with Prof. Florian Kraus), Zintl phases (with Prof. Thomas Fässler), and new allotropic modifications (with Prof. Lorenzo Maschio). The potential applications of the studied materials are related for example to energy storage (battery technologies).
3. Virtual and extended reality in chemical education
We develop digital teaching platforms to support chemical engineering education at Aalto University. Examples of the work in this field include virtual laboratories, Python-based interactive Moodle question types, and JupyterHub-based platform for learning computational chemistry.
Reseach group members
Related content
The winner of Aalto University's Open Science Award 2024 is AALTOLAB Virtual Laboratories
The winner of Aalto University's Open Science Award winner for 2024 has been chosen.
Significant Grant for Greener Semiconductor Technology from Business Finland
Aalto University, in collaboration with the industrial partners Applied Materials in Finland (Picosun), PiBond and Volatec has been awarded a major Business Finland grant.
Strong overall result: 27.5 million euros from the Research Council of Finland
A total of 52 Aalto researchers received Academy Research Fellowship and Academy Project funding. The total funding awarded to Aalto University amounts to 27.5 million euros
