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


Nicholson, David
Salazar, Veronica 


  • 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


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