Distributed data parallel coupled-cluster algorithm: Application to the 2-hydroxypyridine/2-pyridone tautomerism. - Alistair P. Rendell; Martyn F. Guest; Ricky A. Kendall (J. Comput. Chem., 1993)

Faster gradients for semiempirical methods. - Andrey A. Bliznyuk; Alistair P. Rendell (J. Comput. Chem., 1999)

Comparison of enzyme polarization of ligands and charge-transfer effects for dihydrofolate reductase using point-charge embedded ab initio quantum mechanical and linear-scaling semiempirical quantum mechanical methods. - Stephen P. Greatbanks; Jill E. Gready; Ajay C. Limaye; Alistair P. Rendell (J. Comput. Chem., 2000)

Computational chemistry on Fujitsu vector-parallel processors: Hardware and programming environment. - Ross H. Nobes; Alistair P. Rendell; Jarek Nieplocha (Parallel Comput., 2000)

Computational chemistry on Fujitsu vector-parallel processors: Development and performance of applications software. - Alistair P. Rendell; Andrey A. Bliznyuk; Thomas Huber; Ross H. Nobes; Elena V. Akhmatskaya; Herbert A. Früchtl; Paul W.-C. Kung; Victor Milman; Han Lung (Parallel Comput., 2000)

Comparison of linear-scaling semiempirical methods and combined quantum mechanical/molecular mechanical methods for enzymic reactions. II. An energy decomposition analysis. - Stephen J. Titmuss; Peter L. Cummins; Alistair P. Rendell; Andrey A. Bliznyuk; Jill E. Gready (J. Comput. Chem., 2002)

OpenMP and NUMA Architectures I: Investigating Memory Placement on the SCI Origin 3000. - Nathan Robertson; Alistair P. Rendell (International Conference on Computational Science, 2003)

Enabling the Efficient Use of SMP Clusters: The GAMESS/DDI Model. - Ryan M. Olson; Michael W. Schmidt; Mark S. Gordon; Alistair P. Rendell (SC, 2003)

Cache Oblivious Matrix Transposition: Simulation and Experiment. - D. Tsifakis; Alistair P. Rendell; Peter E. Strazdins (International Conference on Computational Science, 2004)

Introducing Design Patterns, Graphical User Interfaces and Threads Within the Context of a High Performance Computing Application. - James Roper; Alistair P. Rendell (International Conference on Computational Science (2), 2005)

The SCore Cluster Enabled OpenMP Environment: Performance Prospects for Computational Science. - H'sien J. Wong; Alistair P. Rendell (International Conference on Computational Science (1), 2005)

Exploring Thread and Memory Placement on NUMA Architectures: Solaris and Linux, UltraSPARC/FirePlane and Opteron/HyperTransport. - Joseph Antony; Pete P. Janes; Alistair P. Rendell (HiPC, 2006)

Modelling the Performance of the Gaussian Chemistry Code on x86 Architectures. - Joseph Antony; Mike J. Frisch; Alistair P. Rendell (HPSC, 2006)

A Project Based Approach to Teaching Parallel Systems. - Alistair P. Rendell (International Conference on Computational Science (2), 2006)

Interval Arithmetic and Computational Science: Performance Considerations. - Alistair P. Rendell; Bill Clarke; Josh Milthorpe (International Conference on Computational Science (1), 2006)

The design of MPI based distributed shared memory systems to support OpenMP on clusters. - H'sien J. Wong; Alistair P. Rendell (CLUSTER, 2007)

Interval Arithmetic and Computational Science: Rounding and Truncation Errors in N-Body Methods. - Alistair P. Rendell; Bill Clarke; Pete P. Janes; Josh Milthorpe; Rui Yang 005 (ICCSA Workshops, 2007)

On the Use of Incomplete LU Decomposition as a Preconditioning Technique for Density Fitting in Electronic Structure Computations. - Rui Yang 005; Alistair P. Rendell; Michael J. Frisch (ICCSA (1), 2007)

Performance models for Cluster-enabled OpenMP implementations. - Jie Cai; Alistair P. Rendell; Peter E. Strazdins; H'sien J. Wong (ACSAC, 2008)

Reinforcement learning for automated performance tuning: Initial evaluation for sparse matrix format selection. - Warren Armstrong; Alistair P. Rendell (CLUSTER, 2008)

Including Rigorous Numerical Bounds in Quantum Chemistry Calculations: Gaussian Integral Evaluation. - Pete P. Janes; Alistair P. Rendell (CSE, 2008)

Performance Evaluation of the NVIDIA GeForce 8800 GTX GPU for Machine Learning. - Ahmed H. El Zein; Eric McCreath; Alistair P. Rendell; Alexander J. Smola (ICCS (1), 2008)

Memory and Thread Placement Effects as a Function of Cache Usage: A Study of the Gaussian Chemistry Code on the SunFire X4600 M2. - Rui Yang 005; Joseph Antony; Pete P. Janes; Alistair P. Rendell (ISPAN, 2008)

Micro-benchmarks for Cluster OpenMP Implementations: Memory Consistency Costs. - H'sien J. Wong; Jie Cai; Alistair P. Rendell; Peter E. Strazdins (IWOMP, 2008)

Integrating software distributed shared memory and message passing programming. - H'sien J. Wong; Alistair P. Rendell (CLUSTER, 2009)

A Simple Performance Model for Multithreaded Applications Executing on Non-uniform Memory Access Computers. - Rui Yang 005; Joseph Antony; Alistair P. Rendell (HPCC, 2009)

Effective Use of Dynamic Page Migration on NUMA Platforms: The Gaussian Chemistry Code on the SunFire X4600M2 System. - Rui Yang 005; Joseph Antony; Alistair P. Rendell (ISPAN, 2009)

Use of Cluster OpenMP with the Gaussian Quantum Chemistry Code: A Preliminary Performance Analysis. - Rui Yang 005; Jie Cai; Alistair P. Rendell; V. Ganesh (IWOMP, 2009)

Non-threaded and Threaded Approaches to MultiRail Communication with uDAPL. - Jie Cai; Alistair P. Rendell; Peter E. Strazdins (NPC, 2009)

Liquid water: obtaining the right answer for the right reasons. - Edoardo Aprà; Alistair P. Rendell; Robert J. Harrison; Vinod Tipparaju; Wibe A. de Jong; Sotiris S. Xantheas (SC, 2009)

Region-Based Prefetch Techniques for Software Distributed Shared Memory Systems. - Jie Cai; Peter E. Strazdins; Alistair P. Rendell (CCGRID, 2010)

From Sparse Matrix to Optimal GPU CUDA Sparse Matrix Vector Product Implementation. - Ahmed H. El Zein; Alistair P. Rendell (CCGRID, 2010)

Runtime sparse matrix format selection. - Warren Armstrong; Alistair P. Rendell (ICCS, 2010)

X10 as a Parallel Language for Scientific Computation: Practice and Experience. - Josh Milthorpe; V. Ganesh; Alistair P. Rendell; David Grove (IPDPS, 2011)

Profiling Directed NUMA Optimization on Linux Systems: A Case Study of the Gaussian Computational Chemistry Code. - Rui Yang 005; Joseph Antony; Alistair P. Rendell; Danny Robson; Peter E. Strazdins (IPDPS, 2011)

High-Performance Pseudo-Random Number Generation on Graphics Processing Units. - Nimalan Nandapalan; Richard P. Brent; Lawrence M. Murray; Alistair P. Rendell (PPAM (1), 2011)

Modelling the Runtime of the Gaussian Computational Chemistry Application and Assessing the Impacts of Microarchitectural Variations. - Joseph Antony; Alistair P. Rendell; Rui Yang 005; Gary Trucks; Michael J. Frisch (ICCS, 2011)

Efficient update of ghost regions using active messages. - Josh Milthorpe; Alistair P. Rendell (HiPC, 2012)

Implementation of 3D FFTs Across Multiple GPUs in Shared Memory Environments. - Nimalan Nandapalan; Jirí Jaros; Alistair P. Rendell; Bradley E. Treeby (PDCAT, 2012)

Generating optimal CUDA sparse matrix-vector product implementations for evolving GPU hardware. - Ahmed H. El Zein; Alistair P. Rendell (Concurr. Comput. Pract. Exp., 2012)

Fault-Tolerant Grid-Based Solvers: Combining Concepts from Sparse Grids and MapReduce. - Jay Walter Larson; Markus Hegland; Brendan Harding; Stephen G. Roberts; Linda Stals; Alistair P. Rendell; Peter E. Strazdins; Md. Mohsin Ali; Christoph Kowitz; Ross H. Nobes; James Southern; Nicholas Wilson; et al. (ICCS, 2013)

Use of SIMD Vector Operations to Accelerate Application Code Performance on Low-Powered ARM and Intel Platforms. - Gaurav Mitra; Beau Johnston; Alistair P. Rendell; Eric McCreath; Jun Zhou 001 (IPDPS Workshops, 2013)

OpenMP on the Low-Power TI Keystone II ARM/DSP System-on-Chip. - Eric Stotzer; Ajay Jayaraj; Murtaza Ali; Arnon Friedmann; Gaurav Mitra; Alistair P. Rendell; Ian Lintault (IWOMP, 2013)

Managing Complexity in the Parallel Sparse Grid Combination Technique. - Jay Walter Larson; Peter E. Strazdins; Markus Hegland; Brendan Harding; Stephen G. Roberts; Linda Stals; Alistair P. Rendell; Md. Mohsin Ali; James Southern (PARCO, 2013)

First principles study of gallium cleaning for hydrogen-contaminated α-Al2O3(0001) surfaces. - Rui Yang 005; Alistair P. Rendell (J. Comput. Chem., 2013)

Deterministic global optimization in ab-initio quantum chemistry. - Pete P. Janes; Alistair P. Rendell (J. Glob. Optim., 2013)

Implementation and Optimization of the OpenMP Accelerator Model for the TI Keystone II Architecture. - Gaurav Mitra; Eric Stotzer; Ajay Jayaraj; Alistair P. Rendell (IWOMP, 2014)

PGAS-FMM: Implementing a distributed fast multipole method using the X10 programming language. - Josh Milthorpe; Alistair P. Rendell; Thomas Huber (Concurr. Comput. Pract. Exp., 2014)

Resolutions of the Coulomb operator: VIII. Parallel implementation using the modern programming language X10. - Taweetham Limpanuparb; Josh Milthorpe; Alistair P. Rendell (J. Comput. Chem., 2014)

Split Wisely: When Work Partitioning is Energy-Optimal on Heterogeneous Hardware. - Gaurav Mitra; Andrew Haigh; Anish Varghese; Luke Angove; Alistair P. Rendell (HPCC/SmartCity/DSS, 2016)

CompAdaGrad: A Compressed, Complementary, Computationally-Efficient Adaptive Gradient Method. - Nishant A. Mehta; Alistair P. Rendell; Anish Varghese; Christfried Webers (CoRR, 2016)

Full-wave nonlinear ultrasound simulation on distributed clusters with applications in high-intensity focused ultrasound. - Jirí Jaros; Alistair P. Rendell; Bradley E. Treeby (Int. J. High Perform. Comput. Appl., 2016)

Embedded Accelerators for Scientific High-Performance Computing: An Energy Study of OpenCL Gaussian Elimination Workloads. - Beau Johnston; Brian Lee; Luke Angove; Alistair P. Rendell (ICPP Workshops, 2017)

Performance and Energy Analysis of Scientific Workloads Executing on LPSoCs. - Anish Varghese; Joshua Milthorpe; Alistair P. Rendell (PPAM (2), 2017)

Programming the Adapteva Epiphany 64-core network-on-chip coprocessor. - Anish Varghese; Bob Edwards; Gaurav Mitra; Alistair P. Rendell (Int. J. High Perform. Comput. Appl., 2017)

Development and Application of a Hybrid Programming Environment on an ARM/DSP System for High Performance Computing. - Gaurav Mitra; Jonathan Bohmann; Ian Lintault; Alistair P. Rendell (IPDPS, 2018)

Scaling the hartree-fock matrix build on summit. - Giuseppe M. J. Barca; David L. Poole; Jorge L. Galvez Vallejo; Melisa Alkan; Colleen Bertoni; Alistair P. Rendell; Mark S. Gordon (SC, 2020)

Enabling large-scale correlated electronic structure calculations: scaling the RI-MP2 method on summit. - Giuseppe M. J. Barca; Jorge L. Galvez Vallejo; David L. Poole; Melisa Alkan; Ryan Stocks; Alistair P. Rendell; Mark S. Gordon (SC, 2021)

Scaling Correlated Fragment Molecular Orbital Calculations on Summit. - Giuseppe M. J. Barca; Calum Snowdon; Jorge L. Galvez Vallejo; Fazeleh S. Kazemian; Alistair P. Rendell; Mark S. Gordon (SC, 2022)