About QuATOMs
The expertise group “Quantum & Artificial inTelligence design Of Materials”, QuATOMs, focuses on the computational modelling of materials by means of quantum mechanical modelling and artificial intelligence. It is the aim of the QuATOMs group to gain a fundamental understanding of the physical and chemical properties at the atomic scale and link these to experimental observations, as well as identify underlying patterns in experimental observations.
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Introduction to QuATOMs
The QuATOMs group started in 2022 as a new interdisciplinary expertise group within the larger Materials Chemistry (MATCHEM) unit of Hasselt University. Its key competences relate to the computational modelling of materials, with the main focus going to quantum mechanical/chemical modelling and Artificial Intelligence based modelling.
The QuATOMs group seeks to provide fundamental understanding of physical and chemical properties through the discovery of structure property-relationships. For this, new computational tools are developed within the group, dedicated to specialized tasks such as characterisation of vibrational spectra or atomic charges. For quantum mechanical modelling, we make use of the Tier-1 HPC infrastructure available through the Flemish Super Computer (VSC). All the computational activities have a strong link with experiments, either though their predictive nature or through direct collaboration with experimental partners. These activities are strongly embedded in the Institute for Materials Research of Hasselt University (IUMAT), facilitating interaction with experimental materials physicists, chemists, and engineers. Besides strong collaborations within IUMAT, the QuATOMs group has a large network of international collaborators.
Although much of our research is fundamental in nature, our AI-based research has a strong application oriented drive. The QuATOMs group is furthermore deeply involved in the master in materiomics program, and we have a strong focus on Ph.D. training. The group also has a longstanding tradition in joint scientific R&D within European, national and regional projects, and providing services for industry and research centres.
Materials Chemistry (MATCHEM)
The Materials Chemistry (MATCHEM) group at Hasselt University gathers all experimental and theoretical expertise groups focusing on different materials chemistry aspects, with their own specific focus and expertise, collaborating closely and sharing equipment, technical staff, and responsibilities.
• Design & Synthesis of Organic Semiconductors (DSOS) – Prof. dr. Wouter Maes
• Hybrid Materials Design (HyMaD) – Prof. dr. Wouter Van Gompel, dr. Laurence Lutsen (strategic research manager)
• Advanced Functional Polymers (AFP) – Prof. dr. Louis Pitet
• NMR spectroscopy (NMR) – Prof. dr. Elien Derveaux
• Biomolecule Design Group (BDG) – Prof. dr. Geert-Jan Graulus, Prof. dr. Wanda Guedens, Prof. dr. Peter Adriaensens
• Design and Synthesis of Inorganic Nanomaterials (DESINe) – Prof. dr. An Hardy, Prof. dr. Marlies Van Bael
• Analytical and Circular Chemistry (ACC) – Prof. dr. ir. Dries Vandamme, Prof. dr. Wouter Marchal, dr Annelies Sels
• (EFM) – Prof. dr. Nianjun Yang
• Quantum & Artificial inTelligence design Of Materials (QuATOMs) – Prof. dr. dr. Danny E. P. Vanpoucke
The Institute for Materials Research (IUMAT)
The Institute for Materials Research (IUMAT), based at the Hasselt University campus in Diepenbeek, has built a vast expertise in the field of materials science since its foundation in 1990. In 2001, a strategic alliance was established with imec, based in Leuven. Imec founded imomec, an associated laboratory within the premises of imo. As such, IUMAT is a joint research institute where fundamental research, strategic basic research, and application-oriented research is conducted. In 2015, UHasselt/IUMAT joined EnergyVille in Genk to carry out its energy-related research.
About 200 FTE's are employed at IUMAT, of which about 80 students are preparing their Ph.D. The team is strongly multidisciplinary: chemists, physicists, and engineers are working together to develop the material systems of tomorrow. Anno 2022, IUMAT can rely on more than 5000 m2 of state-of-the-art lab infrastructure, divided over four different locations.
The core competence of IUMAT is the development and characterization of new material systems with potential use in sustainability and health. In the domain of sustainability, IUMAT focuses on energy conversion, energy storage, and sustainable materials. In the domain of health, the focus of the research programs relates to the development of advanced technologies for sensing via dedicated analytical techniques and systems for sensing based on quantum technologies.
Hasselt University
Hasselt University (UHasselt; located in the northeast part of Belgium) is a young and dynamic center of expertise for teaching, research, and service provision. UHasselt regards an active contribution to a sustainable and innovative region as its social responsibility. It aspires to be a hub in this innovation web. Hasselt University, therefore, attaches great importance to cooperation with other centers of expertise, companies, government agencies, and organizations in Limburg and beyond.
As one of the drivers of regional innovation, Hasselt University focuses specifically on:
● educating students so that they become highly-skilled, employable professionals;
● conducting applied and fundamental research in specific fields and encouraging practical applications from that research;
● spreading its knowledge and expertise through collaboration with industry and other external partners;
● developing foreign partnerships.
Contact
Prof. dr. Danny Vanpoucke
