Professor Peter M. W. Gill, Ph.D.

Professor at Australian National University

President of Q-Chem, Inc.



Peter Gill is currently a Professor at Australian National University. Prior to this, he was the Chair of Theoretical and Computational Chemistry at the University of Nottingham. Before that he was a Fellow of Pembroke College, Cambridge and University Lecturer in Theoretical Chemistry. Before moving to England, Dr. Gill had been a Senior Lecturer at Massey University, New Zealand (1993-1996) and a Research Scientist at Carnegie Mellon University (1988-1992) with Prof. John A. Pople. He was awarded a Ph.D. from the Australian National University (1988) for work with Prof. Leo Radom on hemi-bonded systems and dications and is author of over 60 papers.

Dr. Gill has established an international reputation for his work on the Coulomb Problem density-functional (DFT) methods and is the recipient of the 1999 Dirac Medal of the World Association of Theoretically Oriented Chemists (WATOC). His PRISM algorithms are recognized as the most efficient currently available for computing two-electron repulsion integrals and the presence of his early PRISM codes in the popular Gaussian 92[TM] package is responsible for the speed of its Direct SCF program. He has made important contributions to computational density-functional theory and, in particular, to the development of efficient grid-based DFT methods.

Dr. Gill's group is currently developing new approaches for solving the Schrödinger Equation for large chemical systems. This has led to a series of Coulomb methods (CFMM, KWIK, CASE, COPs, among others) that have recently culminated in the very promising "fingerprint" algorithms. He has also developed a number of accurate density functionals and, in collaboration with Professor Pople, has introduced the EDF1 methodology. His group is also pursuing the development of tensor-based methods for matrix element evaluation, gridless density functionals and novel approaches to the correlation problem. Some of his relevant publications are listed in the enclosed bibliography list.