AIBN strengthens science, industry ties with $1.5m Linkage grants
Published on: 15 February 2023
Bernhardt Group
Theoretical and computational molecular science: nonequilibrium systems, fluids, and materials.
The Bernhardt Group, led by Senior Group Leader Professor Debra Bernhardt, engages in research programs focussing on development of theory and computational methods for study of molecular systems as well as their application in the fields of nanotechnology, environmental science and nonequilibrium systems. The Group utilises quantum electronic structure methods, classical and quantum molecular dynamics, statistical mechanics and dynamics systems theory to characterise photophysical, kinetic, transport, material and catalytic properties of complex systems in targeted application areas.
The Group operates in an excellent computational laboratory within AIBN, accessing UQ and national computation facilities to provide a foundation for the compute-intensive research that the Group carries out.
The Bernhardt Group is one of the core groups in the Centre for Theoretical and Computational Molecular Science (CTCMS), of which Professor Debra Bernhardt is the Director.
Professor Bernhardt has a joint appointment with SCMB.
Research Areas
- Theoretical computational molecular science
- Nonequilibrium systems
- Transport in nanopores
- Fluctuations in nanoscale systems
- Computational study of materials for energy storage systems (batteries and supercapacitors)
- Electrochemical transformation of carbon dioxide
Research Approach
The Bernhardt Group operates in an excellent computational laboratory within AIBN, accessing UQ and national computation facilities to provide a foundation for the compute-intensive research that the Group carries out.
The Group is one of the core groups in the Centre for Theoretical and Computational Molecular Science(CTCMS), of which Professor Debra Bernhardt is the Director.
Research Highlights
Funding
Since 2019
- ARC Centre of Excellence for Green Electrochemical Transformation of Carbon Dioxide (2023–2030) ARC Centres of Excellence
- Integrated solar to chemical production and membrane concentration system (2023–2026) ARC Linkage Projects
- Towards a molecular level understanding of flow-induced physical and chemical reactions (2021–2023) Pawsey Centre for Extreme Scale Readiness
- New frontiers for nonequilibrium systems (2020–2024) ARC Australian Laureate Fellowships
- Strategic Design of Nanoarchitectured Porous Carbon and Investigation of Charging/Discharging Mechanisms in Supercapacitors for Future Energy Storage Systems (2020–2022) Foundation for Australia-Japan Studies
- Promoting new reaction pathways with nonequilibrium flow (2019–2023) ARC Discovery Projects
- Sustaining and enhancing merit-based research access to the National Computational Infrastructure (ARC LIEF project administered by ANU) (2019–2022) Australian National University
Publications
Click here to view Bernhardt group publications
