(work)
Molecular Mining Corp.
128 Ontario Street
Kingston, ON K7L 2Y4
(Home
P.O. Box 15
Enterprise, ON K0K 1Z0
Email : rdickson@molecularmining.com
To see a list of my publications and accomplishements click here.
Ross was the first person to obtain a combined honours degree in chemistry
and computing science from Dalhousie University, where he worked on NMR
simulations with Rod Wasylishen for his undergraduate project. He then
went on to Queen's University at Kingston, Ontario, where he learned density
functional theory from Axel Becke and contributed to the development of
the unique no-basis-set code NUMOL. He obtained his Ph.D. there in early
1993 for this work, and then went to Calgary to join the Ziegler group.
He has worked on a number of projects here, including:
implementing DIIS convergence acceleration for ADF;
a method for evaluating two-electron integrals for ADF, which was applied
to...
the electronic excitation spectra of transition metal complexes;
evaluation of new exchange-correlation potential (v_xc) functionals;
a general-purpose two-centre numerical integration scheme;
calculation of NMR spin-spin coupling constants.
His research interests include basic density functional theory, spectroscopy,
numerical algorithms, and the application of modern software engineering
principles to scientific computing.
