Daniel Grimwood
Daniel Grimwood
Pawsey Supercomputing Centre
Verified email at pawsey.org.au
Title
Cited by
Cited by
Year
CrystalExplorer (Version 3.1)
SK Wolff, DJ Grimwood, JJ McKinnon, MJ Turner, D Jayatilaka, ...
University of Western Australia, 2012
2198*2012
CrystalExplorer17
MJ Turner, JJ McKinnon, SK Wolff, DJ Grimwood, PR Spackman, ...
The University of Western Australia, 2017
1162*2017
Wavefunctions derived from experiment. I. Motivation and theory
D Jayatilaka, DJ Grimwood
Acta Crystallographica Section A: Foundations of Crystallography 57 (1), 76-86, 2001
1682001
Workshop on Computational Chemistry in the 21st Century: Applications and Methods-Tonto: A Fortran Based Object-Oriented System for Quantum Chemistry and Crystallography
D Jayatilaka, DJ Grimwood
Lecture Notes in Computer Science 2660, 142-151, 2003
144*2003
TONTO–A System for Computational Chemistry
D Jayatilaka, DJ Grimwood, A Lee, A Lemay, AJ Russel, C Taylor, ...
The University of Western Australia, Nedlands, Australia, 2005
117*2005
Wavefunctions derived from experiment. II. A wavefunction for oxalic acid dihydrate
DJ Grimwood, D Jayatilaka
Acta Crystallographica Section A: Foundations of Crystallography 57 (1), 87-100, 2001
802001
Wave functions derived from experiment. V. Investigation of electron densities, electrostatic potentials, and electron localization functions for noncentrosymmetric crystals
DJ Grimwood, I Bytheway, D Jayatilaka
Journal of computational chemistry 24 (4), 470-483, 2003
522003
Wavefunctions derived from experiment. III. Topological analysis of crystal fragments
I Bytheway, DJ Grimwood, D Jayatilaka
Acta Crystallographica Section A: Foundations of Crystallography 58 (3), 232-243, 2002
512002
Wavefunctions derived from experiment. IV. Investigation of the crystal environment of ammonia
I Bytheway, DJ Grimwood, BN Figgis, GS Chandler, D Jayatilaka
Acta Crystallographica Section A: Foundations of Crystallography 58 (3), 244-251, 2002
482002
Electron localization functions obtained from x-ray constrained Hartree–Fock wavefunctions for molecular crystals of ammonia, urea and alloxan
D Jayatilaka, D Grimwood
Acta Crystallographica Section A: Foundations of Crystallography 60 (2), 111-119, 2004
462004
CrystalExplorer: a tool for displaying Hirshfeld surfaces and visualising intermolecular interactions in molecular crystals
D Jayatilaka, SK Wolff, DJ Grimwood, JJ McKinnon, MA Spackman
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 62, S90-S90, 2006
212006
Computational Science-ICCS 2003
D Jayatilaka, DJ Grimwood
Lecture Notes in Computer Science 2660, 142-151, 2003
202003
Cascade compilation revisited
T Stern, D Grimwood
ACM SIGPLAN Fortran Forum 21 (1), 12-24, 2002
22002
HPC Technology Update
C Harris, G Beckett, C Bording, D Carey, A Chew, A Elwell, ...
Technical report, Pawsey Supercomputing Centre, 2015
12015
Evaluating Parallel Programming Tools to Support Code Development for Accelerators
R Hartman-Baker, V Maxville, D Grimwood
Procedia Computer Science 29, 2076-2079, 2014
2014
Constrained Hartree-fock Wavefunctions Using Experimental X-ray Diffraction Data
DJ Grimwood
University of Western Australia, 2002
2002
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