Daniel J. Grimwood

University of Western Australia — Australia

Physics and Astronomy · Physical Sciences

9h-index5.2kcitations11works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(7), Crystallography and molecular interactions(5), X-ray Diffraction in Crystallography(4), Parallel Computing and Optimization Techniques(3), Distributed and Parallel Computing Systems(2)

Publications11 total

<i>CrystalExplorer</i>: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals
Journal of Applied Crystallography·2021· 4.2k citedOpen Access
Evaluating Parallel Programming Tools to Support Code Development for Accelerators
Procedia Computer Science·2014Open Access
CrystalExplorer: a tool for displaying Hirshfeld surfaces and visualising intermolecular interactions in molecular crystals
Acta Crystallographica Section A Foundations of Crystallography·2006· 142 citedOpen Access
Electron localization functions obtained from X-ray constrained Hartree–Fock wavefunctions for molecular crystals of ammonia, urea and alloxanWork presented at the Microsymposium on Quantum Crystallography, XIX IUCr Congress, Geneva, Switzerland, August 2002.
Acta Crystallographica Section A Foundations of Crystallography·2004· 50 cited
Wave functions derived from experiment. V. Investigation of electron densities, electrostatic potentials, and electron localization functions for noncentrosymmetric crystals
Journal of Computational Chemistry·2003· 69 cited
Tonto: A Fortran Based Object-Oriented System for Quantum Chemistry and Crystallography
Lecture notes in computer science·2003· 222 cited
Wavefunctions derived from experiment. III. Topological analysis of crystal fragments
Acta Crystallographica Section A Foundations of Crystallography·2002· 61 cited
Wavefunctions derived from experiment. IV. Investigation of the crystal environment of ammonia
Acta Crystallographica Section A Foundations of Crystallography·2002· 62 cited
Cascade compilation revisited
ACM SIGPLAN Fortran Forum·2002· 2 cited
Wavefunctions derived from experiment. II. A wavefunction for oxalic acid dihydrate
Acta Crystallographica Section A Foundations of Crystallography·2001· 103 cited
Wavefunctions derived from experiment. I. Motivation and theory
Acta Crystallographica Section A Foundations of Crystallography·2001· 201 cited

Frequent Co-authors

Dylan Jayatilaka(9), Ian Bytheway(3), Joshua J. McKinnon(2), Stephen K. Wolff(2), Mark A. Spackman(2), Peter R. Spackman(1), Michael J. Turner(1), Brian N. Figgis(1), G. S. Chandler(1), Ted Stern(1), Rebecca Hartman‐Baker(1), Valerie Maxville(1)