Andrew Thomas Beresford Gilbert Ph.D.

Position Department / Business Unit
Research officer Research School of Chemistry
Institution Disciplines
Australian National University Chemistry
City State / Provence
Country Website
+61 2 6125 0750

Our research group focuses on the development of new methods and techniques in the field of computational quantum chemistry. We implement these methodologies in the Q-Chem software package.


Doctor of Philosophy degree in Theoretical Chemistry, Churchill College, Cambridge University, UK (2001).; Postgraduate Diploma in Mathematics, Massey University, New Zealand; Bachelor of Science (Hons) Chemistry, Massey University (1996).

Career Highlights

Postdoctoral Fellow, The Australian National University (Sep '04--Nov '05)

Undertook research into the modeling of electrostatic potentials using point--charges and radial basis functions, and also investigated the decay behaviour of coefficients in auxiliary basis fits to the electronic density. Coordinated the Physical and Theoretical Seminar series. Assisted in the maintenance of the Q-Chem quantum chemistry software package on the APAC supercomputing facility and coordinated and edited the Q-Chem manual.

Research Assistant, University of Nottingham (Feb '03--Jun '04)

Assisted with the maintenance of the Q-Chem quantum chemical software package including; introducing web--based code monitoring tools, pre--release testing, code fixes, porting to the Opteron platform, and coordinating and editing the manual.

Research Assistant, University of Nottingham (Feb '01--Feb '03)

Used ab initio excited--state methods to model the effects of charge--transfer transitions in protein circular dichroism.

Part time supervisor, Cambridge University (1998)

Supervised Part Ib (second year) students for Quantum Chemistry. This required in--depth knowledge of the subject and patience to explain unfamiliar concepts to students.

Ph. D. Research Student, Cambridge University (Oct '97--Feb '01)

Thesis title: Density Methods In Quantum Chemistry.


* 1997 Prince of Wales Fees Scholarship for study at the University of Cambridge.
* 1996 Massey Scholar.
* 1995 NZ Institute of Chemistry Prize for Third year Chemistry.
* 1995 Senior Prize in Mathematics.
* 1994 NZ Aluminium Smelters Ltd Prize in Chemistry.
* 1994 Bennetts University Book Centre Prize in Mathematics.
* 1994 Tower Corporation Undergraduate Scholarship.
* 1993 Palmerston North Boys High Dux Litterarum award for Academic Excellence.
* 1993 Silver medal at the International Chemistry Olympiad (Italy).

By this Researcher

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