Andrew Rohl
Andrew Rohl
Professor of Computational Science
Verified email at - Homepage
Cited by
Cited by
The General Utility Lattice Program (GULP)
JD Gale, AL Rohl
Molecular Simulation 29 (5), 291-341, 2003
Hirshfeld surfaces identify inadequacies in computations of intermolecular interactions in crystals: pentamorphic 1, 8-dihydroxyanthraquinone
AL Rohl, M Moret, W Kaminsky, K Claborn, JJ McKinnon, B Kahr
Crystal Growth and Design 8 (12), 4517-4525, 2008
Marvin: A new computer code for studying surfaces and interfaces and its application to calculating the crystal morphologies of corundum and zircon
DH Gay, AL Rohl
Journal of the Chemical Society, Faraday Transactions 91 (5), 925-936, 1995
Tetragonal structure model for boehmite-derived γ-alumina
G Paglia, CE Buckley, AL Rohl, BA Hunter, RD Hart, JV Hanna, LT Byrne
Physical Review B 68 (14), 144110, 2003
Boehmite derived γ-alumina system. 1. Structural evolution with temperature, with the identification and structural determination of a new transition phase, γ ‘-alumina
G Paglia, CE Buckley, AL Rohl, RD Hart, K Winter, AJ Studer, BA Hunter, ...
Chemistry of materials 16 (2), 220-236, 2004
Determination of the structure of γ-alumina from interatomic potential and first-principles calculations: The requirement of significant numbers of nonspinel positions to …
G Paglia, AL Rohl, CE Buckley, JD Gale
Physical Review B 71 (22), 224115, 2005
Model of noncontact scanning force microscopy on ionic surfaces
AI Livshits, AL Shluger, AL Rohl, AS Foster
Physical Review B 59 (3), 2436, 1999
Molecular mechanics study of oligomeric models for poly (ferrocenylsilanes) using the extensible systematic forcefield (ESFF)
S Barlow, AL Rohl, S Shi, CM Freeman, D O'Hare
Journal of the American Chemical Society 118 (32), 7578-7592, 1996
GDIS: a visualization program for molecular and periodic systems
S Fleming, A Rohl
Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 580-584, 2005
Effects of temperature on the scaling of calcium sulphate in pipes
TA Hoang, HM Ang, AL Rohl
Powder Technology 179 (1-2), 31-37, 2007
Structure, stability and morphology of stoichiometric ceria crystallites
S Vyas, RW Grimes, DH Gay, AL Rohl
Journal of the Chemical Society, Faraday Transactions 94 (3), 427-434, 1998
Evidence from surface phonons for the (2× 1) reconstruction of the (1014) surface of calcite from computer simulation
AL Rohl, K Wright, JD Gale
American Mineralogist 88 (5-6), 921-925, 2003
Examination of Spinel and Nonspinel Structural Models for γ-Al2O3 by DFT and Rietveld Refinement Simulations
M Sun, AE Nelson, J Adjaye
The Journal of Physical Chemistry B 110 (5), 2310-2317, 2006
Powder diffraction and crystal structure prediction identify four new coumarin polymorphs
AG Shtukenberg, Q Zhu, DJ Carter, L Vogt, J Hoja, E Schneider, H Song, ...
Chemical Science 8 (7), 4926-4940, 2017
Calculated bulk and surface properties of sulfates
C Richard A áCatlow
Faraday Discussions 95, 273-280, 1993
An ab initio study of the structure and properties of aluminum hydroxide: gibbsite and bayerite
JD Gale, AL Rohl, V Milman, MC Warren
The Journal of Physical Chemistry B 105 (42), 10236-10242, 2001
Atomistic theory of the interaction between AFM tips and ionic surfaces
AL Shluger, AL Rohl, DH Gay, RT Williams
Journal of Physics: Condensed Matter 6 (10), 1825, 1994
Boehmite-derived γ-alumina system. 2. Consideration of hydrogen and surface effects
G Paglia, CE Buckley, TJ Udovic, AL Rohl, F Jones, CF Maitland, ...
Chemistry of materials 16 (10), 1914-1923, 2004
A supramolecular ice growth inhibitor
R Drori, C Li, C Hu, P Raiteri, AL Rohl, MD Ward, B Kahr
Journal of the American Chemical Society 138 (40), 13396-13401, 2016
Twisted aspirin crystals
X Cui, AL Rohl, A Shtukenberg, B Kahr
Journal of the American Chemical Society 135 (9), 3395-3398, 2013
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