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Browsing by Author Rendell, Alistair

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A project based approach to teaching parallel systems

Author(s)Rendell, Alistair
TypeConference paper
Date Published2006
Date CreatedMay 28-31 2006

A Simple Performance Model for Multithreaded Applications Executing on Non-Uniform Memory Access Computers

Author(s)Yang, Rui; Antony, Joseph; Rendell, Alistair
TypeConference paper
Date Published2009
Date CreatedJune 25-27 2009
01_Rendell_Building_fast,_reliable,_and_2008.pdf.jpg

Building fast, reliable, and adaptive software for computational science

Author(s)Rendell, Alistair; Antony, Joseph; Armstrong, Warren, et al
TypeJournal article
Date Published2008
Date Created-

Cache Oblivious Matrix Transposition: Simulation and Experiment

Author(s)Tsifakis, Dimitrios; Rendell, Alistair; Strazdins, Peter
TypeConference paper
Date Published2004
Date CreatedSeptember 6 2004

Comparison of linear-scaling semiempirical methods and combined quantum mechanical / molecular mechanical methods applied to enzyme reactions

Author(s)Titmuss, Stephen; Cummins, Peter; Bliznyuk, Andrei, et al
TypeJournal article
Date Published2000
Date Created-

Comparison of Linear-Scaling Semiempirical Methods and Combined Quantum Mechanical/Molecular Mechanical Methods for Enzymic Reactions. II. An Energy Decomposition Analysis.

Author(s)Titmuss, Stephen; Cummins, Peter; Rendell, Alistair, et al
TypeJournal article
Date Published2002
Date Created-
02_Cummins_Comparison_of_semiempirical_2002.pdf.jpg

Comparison of semiempirical and ab initio QM decomposition analyses for the interaction energy between molecules

Author(s)Cummins, Peter; Titmuss, Stephen; Jayatilaka, Dylan, et al
TypeJournal article
Date Published2002
Date Created-

Computational chemistry on Fujitsu vector-parallel processors: Development and performance of applications software

Author(s)Rendell, Alistair; Bliznyuk, Andrei; Nobes, Ross H, et al
TypeJournal article
Date Published2000
Date Created-

Computational chemistry on Fujitsu vector-parallel processors: Hardware and programming environment

Author(s)Nobes, Ross H; Rendell, Alistair; Nieplocha, Jarek
TypeJournal article
Date Published2000
Date Created-

Computational Methods for the Study of Enzymic Reaction Mechanisms. 1. Application to the Hydride Transfer Step in the Catalysis of Dihydrofolate Reductase

Author(s)Cummins, Peter; Greatbanks, S; Rendell, Alistair, et al
TypeJournal article
Date Published2002
Date Created-

Deterministic global optimization in ab-initio quantum chemistry

Author(s)Janes, Pete; Rendell, Alistair
TypeJournal article
Date Published2012
Date Created-
01_Armstrong_Dynamic_algorithm_selection_2006.pdf.jpg

Dynamic algorithm selection using reinforcement learning

Author(s)Armstrong, Warren; Christen, Peter; McCreath, Eric, et al
TypeConference paper
Date Published2006
Date CreatedDecember 4-5 2006

Effective Use of Dynamic Page Migration on NUMA Platforms: The Gaussian Chemistry Code on the SunFire X4600M2 System

Author(s)Yang, Rui; Antony, Joseph; Rendell, Alistair
TypeConference paper
Date Published2009
Date CreatedDecember 14-16 2009
01_Milthorpe_Efficient_update_of_ghost_2012.pdf.jpg

Efficient update of ghost regions using active messages

Author(s)Milthorpe, Josh; Rendell, Alistair
TypeConference paper
Date Published2012
Date CreatedDecember 18-21 2012

Electronic effects in biomolecular simulations: Investigation of the KcsA potassium ion channel.

Author(s)Bliznyuk, Andrei; Rendell, Alistair
TypeJournal article
Date Published2004
Date Created-

Electrostatics for exploring hydration patterns of molecules. 3. Uracil

Author(s)Gadre, Shridhar; Babu, K.; Rendell, Alistair
TypeJournal article
Date Published2000
Date Created-

Enabling the Efficient Use of SMP Clusters: The GAMESS/DDI Model

Author(s)Olson, Ryan; Schmidt, Michael; Gordon, Mark, et al
TypeConference paper
Date Published2003
Date CreatedNovember 15-21 2003

Energy-Efficient Computational Chemistry: Comparison of x86 and ARM Systems

Author(s)Keipert, Kristopher; Mitra, Gaurav; Sunriyal, Vaibhav, et al
TypeJournal article
Date Published2015
Date Created-

Enzyme Polarization of Substrates of Dihydrofolate Reductase by Different Theoretical Methods

Author(s)Greatbanks, S; Gready, Jill; Limaye, Ajay, et al
TypeJournal article
Date Published1999
Date Created-

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