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Daniel Grimwood
Daniel Grimwood
Department of Defence
Verified email at defence.gov.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
33222012
CrystalExplorer17
MJ Turner, JJ McKinnon, SK Wolff, DJ Grimwood, PR Spackman, ...
The University of Western Australia 108, 76730, 2017
2895*2017
CrystalExplorer: A program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals
PR Spackman, MJ Turner, JJ McKinnon, SK Wolff, DJ Grimwood, ...
Journal of Applied Crystallography 54 (3), 1006-1011, 2021
19702021
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
266*2003
Wavefunctions derived from experiment. I. Motivation and theory
D Jayatilaka, DJ Grimwood
Acta Crystallographica Section A: Foundations of Crystallography 57 (1), 76-86, 2001
2252001
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
1832005
University of Western Australia
MJ Turner, JJ McKinnon, SK Wolff, DJ Grimwood, PR Spackman, ...
CrystalExplorer17, 2017
1012017
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
1002001
CrystalExplorer (Version 17.5)
MJ Turner, JJ McKinnon, SK Wolff, DJ Grimwood, PR Spackman, ...
University of Western Australia, 2017
902017
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 Section A 62, s90-s90, 2006
802006
Wave functions derived from experiment. V. Investigation of electron densities, electrostatic potentials, and electron localization functions for noncentrosymmetric crystals
DJ Grimwood, IAN Bytheway, D Jayatilaka
Journal of computational chemistry 24 (4), 470-483, 2003
682003
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
622002
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
602002
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
522004
Computational Science-ICCS 2003
D Jayatilaka, DJ Grimwood
Lecture Notes in Computer Science 2660, 142-151, 2003
252003
HPC technology update
C Harris, G Beckett, C Bording, D Carey, A Chew, A Elwell, ...
Technical report, Pawsey Supercomputing Centre, 2015
22015
Cascade compilation revisited
T Stern, D Grimwood
ACM SIGPLAN Fortran Forum 21 (1), 12-24, 2002
22002
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
D Grimwood
2002
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