Areas of expertise

• Programming Languages 080308
• Numerical Computation 080205
• Quantum Chemistry 030701
• Software Engineering 080309
• Atomic And Molecular Physics 020201
• Memory Structures 100604
• Processor Architectures 100606
• Distributed And Grid Systems 080501
• Analysis Of Algorithms And Complexity 080201
• Performance Evaluation; Testing And Simulation Of Reliability 100605
• Computer System Architecture 080302
• Concurrent Programming 080304
• Theoretical And Computational Chemistry 0307
• Computer Software 0803

Biography

Publications

• Mitra, G, Bohmann, J, Lintault, I et al 2018, 'Development and application of a hybrid programming environment on an ARM/DSP system for high performance computing', 32nd IEEE International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2018, IEEE, USA, pp. 286-295pp.
• Varghese, A, Edwards, R, Mitra, G et al 2017, 'Programming the Adapteva Ephipany 64-core network-on-chip coprocessor', International Journal of High Performance Computing Applications, vol. 31, no. 4, pp. 285-302.
• Johnston, B, Lee, C, Angove, L et al. 2017, 'Embedded Accelerators for Scientific High-Performance Computing: An Energy Study of OpenCL Gaussian Elimination Workloads', 46th International Conference on Parallel Processing Workshops, ICPPW 2017, ed. Randall Bilof, IEEE, TBC, pp. 59-68.
• Mitra, G, Haigh, A, Varghese, A et al 2016, 'Split Wisely: When Work Partitioning is Energy-Optimal on Heterogeneous Hardware', HPCC/SmartCity/DSS 2016, ed. L T and J Chen, Institute of Electrical and Electronics Engineers (IEEE Inc), Online, pp. 781-788pp.
• Jaros, J, Rendell, A & Treeby, B 2016, 'Full-wave nonlinear ultrasound simulation on distributed clusters with applications in high-intensity focused ultrasound', International Journal of High Performance Computing Applications, vol. 30, no. 2, pp. 137-155.
• Keipert, K, Mitra, G, Sunriyal, V et al 2015, 'Energy-Efficient Computational Chemistry: Comparison of x86 and ARM Systems', Journal of Chemical Theory and Computation (JCTC), vol. 11, no. 11, pp. 5055-5061.
• Larson, J, Strazdins, P, Hegland, M et al. 2014, 'Managing complexity in the Parallel Sparse Grid Combination Technique', Parallel Computing, vol. 25, pp. 593-602.
• Limpanuparb, T, Milthorpe, J & Rendell, A 2014, 'Resolutions of the Coulomb Operator: VIII. Parallel Implementation Using the Modern Programming Language X10', Journal of Computational Chemistry, vol. 35, no. 28, pp. 2056-2069.
• Leang, S, Rendell, A & Gordon, M 2014, 'Quantum Chemical Calculations Using Accelerators: Migrating Matrix Operations to the NVIDIA Kepler GPU and the Intel Xeon Phi', Journal of Chemical Theory and Computation (JCTC), vol. 10, no. 3, pp. 908-912.
• Varghese, A, Edwards, R, Mitra, G et al 2014, 'Programming the adapteva epiphany 64-core network-on-chip coprocessor', 28th IEEE International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2014, IEEE, Online, pp. 984-992.
• Mitra, G, Stotzer, E, Jayaraj, A et al 2014, 'Implementation and optimization of the OpenMP accelerator model for the TI Keystone II architecture', 10th International Workshop on OpenMP (IWOMP 2014), ed. Luiz DeRose Bronis R. de Supinski Stephen L. Olivier Barbara M. Chapman Matthias, Springer, Switzerland, pp. 202-214.
• Milthorpe, J, Rendell, A P & Huber, T 2014, 'PGAS-FMM: Implementing a distributed fast multipole method using the X10 programming language', Concurrency and Computation: Practice and Experience, vol. 26, issue 3, pp. 712-727. doi:10.1002/cpe.3039
• Stotzer, E, Jayaraj, A, Ali, M et al 2013, 'OpenMP on the Low-Power TI Keystone II ARM/DSP System-on-Chip', Lecture Notes in Computer Science (LNCS), vol. 8122, no. IWOMP 2013, pp. 114-127.
• Limpanuparb, T, Milthorpe, J, Rendell, A et al. 2013, 'Resolutions of the Coulomb operator: VII. Evaluation of long-range Coulomb and exchange matrices', Journal of Chemical Theory and Computation (JCTC), vol. 9, no. 2, pp. 863-867.
• Yang, R & Rendell, A 2013, 'First principles study of gallium-cleaning for hydrogen-contaminated x-Al₂O₃(0001) surfaces', Journal of Computational Chemistry, vol. 34, no. 13, pp. 1101-1111.
• Rendell, A, Chapman, B & Müller, M, eds, 2013, OpenMP in the Era of Low Power Devices and Accelerators, Springer-Verlag Berlin Heidelberg, Chennai, India.
• Larson, J, Hegland, M, Harding, B et al. 2013, 'Fault-Tolerant Grid-Based Solvers: Combining Concepts from Sparse Grids and MapReduce', International Conference on Computational Science, ICCS 2013, Elsevier B.V., The Netherlands, pp. 130-139.
• Janes, P & Rendell, A 2013, 'Deterministic global optimization in ab-initio quantum chemistry', Journal of Global Optimization, vol. 56, no. 2, pp. 537-558.
• Gaurav Mitra, Beau Johnston, Eric C. McCreath, Jun Zhou, and Alistair P. Rendell, 2013 'Use of SIMD Vector Operations to Accelerate Application Code Performance on Low-Powered ARM and Intel Platforms', 2013 IEEE 27th International Symposium on Parallel & Distributed Processing Workshops and PhD Forum (IPDPSW), IEEE Computer Society, New York USA, pp. 1107 - 1116.
• El Zein, A & Rendell, A 2012, 'Generating optimal CUDA sparse matrix-vector product implementations for evolving GPU hardware', Concurrency and Computation: Practice and Experience, vol. 24, no. 1, pp. 3-13.
• Nandapalan, N, Brent, R, Murray, L et al 2012, 'High-performance pseudo-random number generation on graphics processing units', International Conference on Parallel Processing and Applied Mathematics (PPAM 2011), Springer, Torun Poland, pp. 609-618.
• Hilder, T, Yang, R, Gordon, D et al 2012, 'Silicon carbide nanotube as a chloride-selective channel', Journal of Physical Chemistry C, vol. 116, no. 7, pp. 4465-4470.
• Treeby, B, Jaros, J, Rendell, A et al. 2012, 'Modeling nonlinear ultrasound propagation in heterogeneous media with power law absorption using a k-space pseudospectral method', The Journal of the Acoustical Society of America, vol. 131, no. 6, pp. 4324-4336.
• Jaros, J, Treeby, B & Rendell, A 2012, 'Use of multiple GPUs on shared memory multiprocessors for ultrasound propagation simulations', Australasian Symposium on Parallel and Distributed Computing (AusPDC 2012), Australian Computer Society Inc., Australia, pp. 43-52.
• Milthorpe, J & Rendell, A 2012, 'Efficient update of ghost regions using active messages', International Conference on High Performance Computing 2012, Conference Organising Committee, India, pp. 1-9.
• Nandapalan, N, Jaros, J, Rendell, A et al 2012, 'Implementation of 3D FFTs Across Multiple GPUs in Shared Memory Environments', International Conference on Parallel and Distributed Computing, Applications and Technologies (PDCAT 2012), IEEE Computer Society, USA, pp. 1-6.
• Janes, P & Rendell, A 2011, 'Placing rigorous bounds on numerical errors in Hartree-Fock energy computations', Journal of Chemical Theory and Computation (JCTC), vol. 7, no. 6, pp. 1631-1639.
• Yang, R, Hilder, T, Chung, S et al 2011, 'First-Principles Study of Water Confined in Single-Walled Silicon Carbide Nanotubes', Journal of Physical Chemistry C, vol. 115, no. 35, pp. 17255-17264.
• Milthorpe, J, Venkateshwara, G, Rendell, A et al. 2011, 'X10 as a parallel language for scientific computation: practice and experience', International Parallel and Distributed Processing Symposium Workshop (IPDPS 2011), IEEE Communications Society, Anchorage USA, p. 9.
• Yang, R, Antony, J, Rendell, A et al 2011, 'Profiling Directed NUMA Optimization on Linux Systems: A Case Study of the Gaussian Computational Chemistry Code', International Parallel and Distributed Processing Symposium Workshop (IPDPS 2011), IEEE Communications Society, Anchorage USA, p. 12.
• Antony, J, Rendell, A, Yang, R et al 2011, 'Modelling the Runtime of the Gaussian Computational Chemistry Application and Assessing the Impacts of Microarchitectural Variations', International Conference on Computational Science (ICCS 2011), ed. Unknown, Elsevier, unknown, pp. 281-291.
• Armstrong, W & Rendell, A 2010, 'Runtime sparse matrix format selection', Procedia Computer Science, vol. 1, no. 1, pp. 135-144.
• El Zein, A & Rendell, A 2010, 'From Sparse Matrix to Optimal GPU CUDA Sparse Matrix Vector Product Implementation', IEEE/ACM International Conference on Cluster, Cloud & Grid Computing CCGRID 2010, ed. Manish Parashar and Rajkumar Buyya, IEEE Computer Society, USA, pp. 808-813.
• Cai, J, Strazdins, P & Rendell, A 2010, 'Region-Based Prefetch Techniques for Software Distributed Shared Memory Systems', IEEE/ACM International Conference on Cluster, Cloud & Grid Computing CCGRID 2010, ed. Manish Parashar and Rajkumar Buyya, IEEE Computer Society, USA, pp. 113-122.
• Bliznyuk, A & Rendell, A 1999, 'Faster Gradients for Semiempirical Methods', Journal of Computational Chemistry, vol. 20, no. 6, pp. 629-635.
• Hilder, T, Yang, R, Venkateshwara, G et al. 2010, 'Validity of current force fields for simulations on boron nitride nanotubes', Micro and Nano Letters, vol. 5, no. 2, pp. 150-156.
• Apra, E, Harrison, R, deJong, W et al 2009, 'Liquid Water: Obtaining the Right Answer for the Right Reasons', in Janet Brown (ed.), Proceedings of the Conference on High Performance Computing Networking, Storage and Analysis, Association for Computing Machinery Inc (ACM), USA, p. 7.
• Yang, R, Antony, J & Rendell, A 2009, 'A Simple Performance Model for Multithreaded Applications Executing on Non-Uniform Memory Access Computers', IEEE International Conference on High Performance Computing and Communications 2009, ed. Conference Program Committee, Institute of Electrical and Electronics Engineers (IEEE Inc), United States, pp. 79-86.
• Yang, R, Cai, J, Rendell, A et al. 2009, 'Use of Cluster OpenMP with the Gaussian Quantum Chemistry Code: A Preliminary Performance Analysis', in Matthias S. Muller, Bronis R. de Supinski, Barbara M. Chapman (ed.), Evolving OpenMP in an Age of Extreme Parallelism, Springer, Berlin and Heidelberg, Germany, pp. 53-62.
• Cai, J, Rendell, A & Strazdins, P 2009, 'Non-threaded and Threaded Approaches to MultiRail Communications with uDAPL', IFIP International Conference on Network and Parallel Computing (NPC 2009), ed. Conference Program Committee, Institute of Electrical and Electronics Engineers (IEEE Inc), New York, pp. 233-239.
• Yang, R, Antony, J & Rendell, A 2009, 'Effective Use of Dynamic Page Migration on NUMA Platforms: The Gaussian Chemistry Code on the SunFire X4600M2 System', International Symposium on Pervasive Systems, Algorithms, and Networks 2009, ed. Conference Program Committee, Institute of Electrical and Electronics Engineers (IEEE Inc), New York, pp. 63-68.
• Wong, H & Rendell, A 2009, 'Integrating Software Distributed Shared Memory and Message Passing Programming', IEEE International Conference on Cluster Computing (Cluster 2009), ed. Conference Program Committee, Institute of Electrical and Electronics Engineers (IEEE Inc), USA, p. 10.
• Rendell, A, Antony, J, Armstrong, W et al 2008, 'Building fast, reliable, and adaptive software for computational science', Journal of Physics: Conference Series(online), vol. 125, pp. 1-10.
• Yang, R, Antony, J, Janes, P et al 2008, 'Memory and Thread Placement Effects as a Function of Cache Usage: A Study of the Gaussian Chemistry Code on the SunFire X4600 M2', International Symposium on Parallel Architectures, Algorithms and Networks (ISPAN 2008), ed. Conference Program Committee, Institute of Electrical and Electronics Engineers (IEEE Inc), USA, pp. 31-36.
• El Zein, A, McCreath, E, Rendell, A et al 2008, 'Performance Evaluation of the NVIDIA GeForce 8800 GTX GPU for Machine Learning', IEEE International Conference on Communication Systems (ICCS 2008), ed. Conference Program Committee, Institute of Electrical and Electronics Engineers (IEEE Inc), Singapore, pp. 466-475.
• Cai, J, Rendell, A, Strazdins, P et al 2008, 'Performance Models for Cluster-Enabled OpenMP Implementations', Asia-Pacific Computer Systems Architecture Conference (ACSAC 2008), ed. Conference Program Committee, Institute of Electrical and Electronics Engineers (IEEE Inc), Taiwan, pp. 1-8.
• Armstrong, W & Rendell, A 2008, 'Reinforcement Learning for Automated Performance Tuning: Initial Evaluation for Sparse Matrix Format Selection', IEEE International Conference on Cluster Computing (Cluster 2008), ed. Conference Program Committee, Institute of Electrical and Electronics Engineers (IEEE Inc), Japan, pp. 411-420.
• Wong, H, Cai, J, Rendell, A et al 2008, 'Micro-benchmarks for Cluster OpenMP Implementations: Memory Consistency Costs', in Rudolf Eigenmann & Bronis R. de Supinski (ed.), OpenMP in a New Era of Parallelism: 4th International Workshop, IWOMP 2008 West Lafayette USA, May 12-14 2008 Proceedings, Springer, New York, pp. 60-70.
• Antony, J, Frisch, M & Rendell, A 2008, 'Modelling the Performance of the Gaussian Chemistry Code on x86 Architectures', International Conference on High Performance Scientific Computing (HPSC 2006), ed. Hans Georg Bock, Ekaterina Kostina, Hoang Xuan Phy, Rolf Rannacher, Springer, Berlin, Germany, pp. 1-10.
• McCreath, E, El Zein, A, Imholz, J et al. 2008, 'Using the Cell Broadband Engine and NVIDIA 8800 GPU for Computational Science Applications: A Particle Dynamics Comparison', in Lean Yu and Kin Keung Lai (ed.), Advances in Applied Computing and Computational Sciences. Proceedings of the International Symposium on Applied Computing and Computational Sciences, Global Information Publisher (GIP), Hong Kong, pp. 74-80.
• Janes, P & Rendell, A 2008, 'Including Rigorous Numerical Bounds in Quantum Chemistry Calculations: Gaussian Integral Evaluation', in Stephanie Kawada (ed.), Proceedings of the 2008 11th IEEE International Conference on Computational Science and Engineering, Institute of Electrical and Electronics Engineers (IEEE Inc), Piscataway, NJ, pp. 75-82.
• Rendell, A, Clarke, W, Janes, P et al. 2007, 'Interval Arithmetic and Computational Science: Rounding and Truncation Errors in N-Body Methods', International Conference on Computational Science and its Applications (ICCSA 2007), ed. Marina L. Gavrilova, Osvaldo Gervasi, IEEE Computer Society, Piscataway USA, pp. 457-463.
• Wong, H & Rendell, A 2007, 'The Design of MPI Based Distributed Shared Memory Systems to Support OpenMP on Clusters', IEEE International Conference on Cluster Computing (Cluster 2007), ed. Marcin Paprzycki and Kent Milfield, Institute of Electrical and Electronics Engineers (IEEE Inc), United States, pp. 231-240.
• Yang, R, Rendell, A & Frisch, M 2007, 'On the use of Incomplete LU Decomposition as a Preconditioning Technique for Density Fitting in Electronic Structure Computations', International Conference on Computational Science and its Applications (ICCSA 2007), ed. Marina L. Gavrilova, Osvaldo Gervasi, IEEE Computer Society, Piscataway USA, pp. 265-280.
• Yang, R, Rendell, A & Frisch, M 2007, 'Automatically generated Coulomb fitting basis sets: Design and accuracy for systems containing H to Kr', Journal of Chemical Physics, vol. 127, pp. 074102 1-14.
• Yang, R & Rendell, A 2007, 'Ga Cleaning of Al2O3 Substrate: Low Coverage Adsorption of Ga on a Hydrogen-Contaminated &alpha-Al2O3(0001) Surface', Journal of Physical Chemistry C, vol. 111, no. 8, pp. 3384-3392.
• Antony, J, Janes, P & Rendell, A 2006, 'Exploring thread and memory placement on NUMA architectures: Solaris and Linux, UltraSPARC/ FirePlane and Opteron/Hypertransport', International Conference on High Performance Computing (HiPC 2006), ed. Robert, Y.L.; Parashar, M.; Badrinath, R.; Prasanna, V.K. (Eds.), Springer, USA, pp. 338-352.
• Rendell, A 2006, 'A project based approach to teaching parallel systems', International Conference on Computational Science (ICCS 2006), ed. Alexandrov, V.N.; van Albada, G.D.; Sloot, P.M.A.; Dongarra, J.J. (Eds.), Springer, Berlin, pp. 155-160.
• Rendell, A, Clarke, W & Milthorpe, J 2006, 'Interval arithmetic and computational science: performance considerations', International Conference on Computational Science (ICCS 2006), ed. Alexandrov, V.N.; van Albada, G.D.; Sloot, P.M.A.; Dongarra, J.J. (Eds.), Springer, Berlin, pp. 218-225.
• Yang, R & Rendell, A 2006, 'First principles study of Gallium atom adsorption on the alpha-AL2O3(0001) surface', Journal of Physical Chemistry B, vol. 110, pp. 9608-9618.
• Armstrong, W, Christen, P, McCreath, E et al 2006, 'Dynamic algorithm selection using reinforcement learning', International Workshop on Integrating AI and Data Mining (AIDM 2006), ed. K-L Ong, K smith-Miles, V Lee, W-K Ng, Institute of Electrical and Electronics Engineers (IEEE Inc), Los Alamitos, p. 8.
• Milthorpe, J & Rendell, A 2005, 'Learning to live with errors: a fresh look at floating-point computation', Australian Undergraduate Students Computing Conference 2005, ed. Robert Bridle, Simon Thornton and Arun Vishwanath, Conference Organising Committee, Canberra, Australia, pp. 34-41.
• Roper, J & Rendell, A 2005, 'Introducing Design Patterns, Graphical User Interfaces and Threads Within the Context of a High Performance Computing Application', International Conference on Computational Science (ICCS 2005), ed. Vaidy S Sunderam, Geert Dick van Albada, Peter M A Sloot, Jack J Dongarra, Springer, Berlin/Heidelberg, pp. 18-26.
• Wong, H & Rendell, A 2005, 'The SCore Cluster Enabled OpenMP Environment: Performance Prospects for Computational Science', International Conference on Computational Science (ICCS 2005), ed. Vaidy S Sunderam, Geert Dick van Albada, Peter M A Sloot, Jack J Dongarra, Springer, Berlin/Heidelberg, pp. 1067-1075.
• Bliznyuk, A & Rendell, A 2004, 'Electronic effects in biomolecular simulations: Investigation of the KcsA potassium ion channel.', Journal of Physical Chemistry B, vol. 108, pp. 13866-13873.
• Tsifakis, D, Rendell, A & Strazdins, P 2004, 'Cache Oblivious Matrix Transposition: Simulation and Experiment', IEEE International Conference on Communication Systems (ICCS 2004), ed. IEEE, Institute of Electrical and Electronics Engineers (IEEE Inc), online, pp. 17-25.
• Robertson, N & Rendell, A 2003, 'OpenMP and NUMA Architectures I: Investigating Memory Placement on the SGI Origin 3000', International Conference on Computational Science (ICCS 2003), ed. P.M.A. Sloot, D. Abramson, A.V. Bogdanov, J.J. Dongarra, A.Y. Zomaya, Y.E. Gorba, Springer, Berlin, pp. 649-656.
• Olson, R, Schmidt, M, Gordon, M et al 2003, 'Enabling the Efficient Use of SMP Clusters: The GAMESS/DDI Model', ACM/IEEE Conference on Supercomputing 2003, Association for Computing Machinery Inc (ACM), Online, p. 10.
• Reimers, J, Shapley, W, Rendell, A et al 2003, 'Modelling the bacterial photosynthetic reaction center. VI. Use of density-functional theory to determine the nature of the vibronic coupling between the four lowest-energy electronic states of the special-pair radical cation', Journal of Chemical Physics, vol. 119, no. 6, pp. 3249-3261.
• Reimers, J, Rendell, A & Hush, N 2002, 'Unifying ENDOR, electrochemical, and FTIR sprectroscopic results for the Special-Pair radical cation in bacterial photosynthesis', International Congress on Photosynthesis (PS 2001), CSLI Publications, Melbourne, p. 7.
• Titmuss, S, Cummins, P, Rendell, A et al 2002, 'Comparison of Linear-Scaling Semiempirical Methods and Combined Quantum Mechanical/Molecular Mechanical Methods for Enzymic Reactions. II. An Energy Decomposition Analysis.', Journal of Computational Chemistry, vol. 23, pp. 1314-1322.
• Cummins, P, Greatbanks, S, Rendell, A et al 2002, 'Computational Methods for the Study of Enzymic Reaction Mechanisms. 1. Application to the Hydride Transfer Step in the Catalysis of Dihydrofolate Reductase', Journal of Physical Chemistry B, vol. 106, pp. 9934-9944.
• Cummins, P, Titmuss, S, Jayatilaka, D et al 2002, 'Comparison of semiempirical and ab initio QM decomposition analyses for the interaction energy between molecules', Chemical Physics Letters, vol. 352, pp. 245-251.
• Bliznyuk, A, Rendell, A, Allen, T et al 2001, 'The Potassium Ion Channel: Comparison of Linear Scaling Semiempirical and Molecular Mechanics Representations of the Electrostatic Potential', Journal of Physical Chemistry B, vol. 105, pp. 12674-12679.
• Greatbanks, S, Gready, J, Limaye, A et al 2000, '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', Journal of Computational Chemistry, vol. 21, no. 9, pp. 788-811.
• Rendell, A, Bliznyuk, A, Huber, T et al 2000, 'Computational chemistry on Fujitsu vector-parallel processors: Development and performance of applications software', Parallel Computing, vol. 26, pp. 887-911.
• Nobes, R, Rendell, A & Nieplocha, J 2000, 'Computational chemistry on Fujitsu vector-parallel processors: Hardware and programming environment', Parallel Computing, vol. 26, no. 7-8, pp. 869-886.
• Gadre, S, Babu, K & Rendell, A 2000, 'Electrostatics for exploring hydration patterns of molecules. 3. Uracil', Journal of Physical Chemistry A, vol. 104, no. 39, pp. 8976-8982.
• Titmuss, S, Cummins, P, Bliznyuk, A et al 2000, 'Comparison of linear-scaling semiempirical methods and combined quantum mechanical / molecular mechanical methods applied to enzyme reactions', Chemical Physics Letters, vol. 320, pp. 169-176.
• Allen, T, Bliznyuk, A, Rendell, A et al 2000, 'The potassium channel: Structure, Selectivity and diffusion', Journal of Chemical Physics, vol. 112, pp. 8191-8204.
• Bliznyuk, A & Rendell, A 1999, 'Faster Semiempirical Gradients', Journal of Computational Chemistry, vol. 20, pp. 629-635.
• Greatbanks, S, Gready, J, Limaye, A et al 1999, 'Enzyme Polarization of Substrates of Dihydrofolate Reductase by Different Theoretical Methods', Proteins: Structure Function and Genetics, vol. 37, pp. 157-165.

Projects and Grants

Grants information is drawn from ARIES. To add or update Projects or Grants information please contact your College Research Office.

• Robust numerical solution of partial differential equations on petascale computer systems with applications to tsunami modelling and plasma physics (Secondary Investigator)
• Advancing Medical Image Analysis through High Performance Heterogeneous Computing, Numerical Simulation, and Novel Human Computer Interfaces (Secondary Investigator)