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Journal of Computational Chemistry|February 7, 2013
First principles study of gallium cleaning for hydrogen-contaminated α-Al2O3(0001) surfacesRui Yang, Alistair P RendellThe Journal of Physical Chemistry. B|May 12, 2006
First principles study of gallium atom adsorption on the alpha-Al2O3(0001) surfaceRui Yang, Alistair P RendellJournal of Computational Chemistry|September 12, 2014
Resolutions of the Coulomb operator: VIII. Parallel implementation using the modern programming language X10Taweetham Limpanuparb, Josh Milthorpe, Alistair P RendellThe Journal of Chemical Physics|August 28, 2007
Automatically generated Coulomb fitting basis sets: design and accuracy for systems containing H to KrRui Yang, Alistair P Rendell, Michael J FrischJournal of Chemical Theory and Computation|November 19, 2015
Quantum Chemical Calculations Using Accelerators: Migrating Matrix Operations to the NVIDIA Kepler GPU and the Intel Xeon PhiSarom S Leang, Alistair P Rendell, Mark S GordonJournal of Chemical Theory and Computation|November 21, 2015
Resolutions of the Coulomb Operator: VII. Evaluation of Long-Range Coulomb and Exchange MatricesTaweetham Limpanuparb, Josh Milthorpe, Alistair P Rendell, et al.The Journal of the Acoustical Society of America|June 21, 2012
Modeling nonlinear ultrasound propagation in heterogeneous media with power law absorption using a k-space pseudospectral methodBradley E Treeby, Jiri Jaros, Alistair P Rendell, et al.Journal of Computational Chemistry|September 6, 2002
Comparison of linear-scaling semiempirical methods and combined quantum mechanical/molecular mechanical methods for enzymic reactions. II. An energy decomposition analysisStephen J Titmuss, Peter L Cummins, Alistair P Rendell, et al.Journal of Chemical Theory and Computation|November 18, 2020
High-Performance, Graphics Processing Unit-Accelerated Fock Build AlgorithmGiuseppe M J Barca, Jorge L Galvez-Vallejo, David L Poole, et al.Journal of Chemical Theory and Computation|November 18, 2015
Energy-Efficient Computational Chemistry: Comparison of x86 and ARM SystemsKristopher Keipert, Gaurav Mitra, Vaibhav Sunriyal, et al.Pageof 2