The AIBN Centre for Theoretical and Computational Molecular Science (CTCMS) brings together leading researchers developing and using theories and computational techniques for molecular science from across The University of Queensland (UQ).

The CTCMS has a computational facility installed in the Australian Institute for Bioengineering and Nanotechnology (AIBN) at the University of Queensland. It consists of 260 DELL CPU cores with approximately 6GB RAM per core, 240 Intel Xeon Phi co-processor cores, an InfiniBand network and 130 TB disk space. 

The four main research themes of the Centre are:

  • Theory and Algorithm Development
  • Theory and Computation: Materials
  • Theory and Computation: Fluids
  • Theory and Computation: Biomolecular Systems

CTCMS Members

The CTCMS is a virtual centre and members participate in the CTCMS, while holding their substantial positions in relevant Schools, Institutes and Centres within UQ. The University of Queensland has a notable strength in the area of theoretical and computational molecular science (TCMS), and the CTCMS membership includes world leaders with a wide range of expertise.

Centre members collaborate in a range of research projects that span develop of new theory, development of algorithms and their implementation, as well as applying new and established techniques to problems in chemistry, physics, biomolecular systems and materials science and engineering. Membership of CTCMS provides a forum for engaging with leaders in the field; networking, communication, mentoring and collaboration. It is proactive in identifying opportunities that will benefit researchers in the field including involvement in national and international initiatives and facilitation of joint applications. It also plays a role in the development and delivery of courses in TCMS.

Members contribute to the Centre through involvement in activities, communication of opportunities and organisation and/or delivery of theoretical and computational molecular science conferences, workshops and courses.

UQ academic staff who are interested in being part of the Centre should contact Debra Bernhardt

Members

Affiliates

  • Bernardi, Stefano
  • Connors, Natalie
  • Kassal, Ivan
  • Reid, James
  • Rohmann, Christoph
  • Schaller, Andrea
  • Michael Corbett

Steering Commitee

  • Debra Bernhardt
  • Marlies Hankel
  • Veronica Martinez
  • Cheng Zhang
  • Michael Yu
  • Ben Powell
  • Alan Mark
  • Suresh Bhatia

Latest News

General Information Enquiries

For all enquiries, please use the contact details below.

ctcms@uq.edu.au +61 7 3346 3949 +61 7 3346 3992

CTCMS aims to reply to all enquiries within 1-2 working days. If you do not receive a reply within this time, please call us.

Location

Level 2 West

Australian Institute for Bioengineering and Nanotechnology (Building 75)

St Lucia Campus

The University of Queensland

Brisbane QLD 4072 Australia

 

Postal address

Australian Institute for Bioengineering and Nanotechnology (Building 75)

The University of Queensland

Brisbane QLD 4072 Australia