AGENDA CSIRO CSS & eResearch Annual Conference & Workshops Melbourne Convention and Exhibition Centre 1 – 4 March 2016 Tuesday 1st March – Workshops Chair: Justin Baker Clarendon Rooms Level 2 and Level 5 Time Location Workshop Convenors 9:00 a.m. – Clarendon D, Level 2 Introduction to Scientific Computing Sam Moskwa 5:00 p.m. 9:00 a.m. – Clarendon C, Level 2 Environmental modelling and uncertainty: Dan Pagendam 5:00 p.m. An introduction to LibBi 9:00 a.m. – Clarendon F, Level 2 Introduction to Workspace Damien Watkins 5:00 p.m. 9:00 a.m. – Clarendon E, Level 2 Picking the Is out of Data: Innovation, Industry, Integration, Impact Cynthia Love and John Morrissey 5:00 p.m. 9:00 a.m. – Clarendon A, Level 5 IoT science across Data61 Nico Adams 12:30 p.m. 1:30 p.m. – Clarendon A, Level 5 eResearch planning for success Yaroslav Jurkiw 5:00 p.m. WORKSHOP BREAK TIMES Break Morning Tea Lunch Afternoon Tea Time 10:30am - 11:00am 12:30pm - 1:30pm 3:00pm - 3:30pm Page 1 of 14 Wednesday 2nd March Chair: John Taylor Clarendon Rooms Level 2 8:30 – Registration 9:30 Refreshments will be served a.m. 9:30 – Opening Address 10:00 Location: Clarendon Auditorium a.m. John Taylor, Data61 Brendan Dalton, IMT 10:00 Keynote: Sudip Dosanjh, National Energy Research Scientific Computing Center - Location: Clarendon Auditorium 11:00 Title: Exascale and Extreme Data Science at NERSC a.m. Abstract: NERSC’s primary mission is to accelerate scientific discovery at the DOE Office of Science through high performance computing and data analysis. NERSC supports the largest and most diverse research community of any computing facility within the DOE complex, providing large-scale, state-of-the- art computing for DOE’S unclassified research programs in alternative energy sources, climate change, environmental science, materials research, astrophysics and other science areas related to DOE’s science mission. NERSC’s next supercomputer, Cori, is being deployed in 2016 in Berkeley Laboratory’s new Computational Research and Theory (CRT) Facility. Cori will include over 9300 manycore Intel Knight’s Landing processors, which introduce several technological advances, including higher intra-node parallelism; high-bandwidth, on-package memory; and longer hardware vector lengths. To help users transition to the new architecture, in 2014 NERSC established the NERSC Exascale Scientific Applications Program (NESAP). Through NESAP, several code projects are collaborating with NERSC, Cray and Intel with access to early hardware, special training and “deep dive” sessions with Intel and Cray staff. The NESAP projects span a range of scientific fields—including astrophysics, genomics, materials science, climate and weather modeling, plasma fusion physics and accelerator science—and represent a significant portion of NERSC’s current and projected computational workload. Cori will include many enhancements to enable a rapidly growing extreme data science workload at NERSC. Cori will have a 1600 Intel® Haswell processor partition with larger memory nodes to enable extreme data analysis. Page 2 of 14 11:00 Keynote: David Abramson, Research Computing Centre, University of Queensland – Location: Clarendon Auditorium 12:00 Title: Translational Computational Science: From The Lab To Practice p.m. Abstract: Translational research is well understood in medicine. Research projects not only target real world problems, but "translate" the solutions into practice. Examples are common and well understood, for example determining how a tumour grows, designing drugs that destroy it, and then testing these in real world studies with patients. The advantages are clear: science is advanced but society benefits in immediate ways. Translational research is less well understood and practiced in computing. All too often, research outcomes are not tested in the real world, and thus while solutions may appear attractive, they fail to be useful. In this seminar I will discuss a framework that fosters the development of novel computer science, but tests the outcomes in practice. This has been deployed both in the Monash e-Science and Grid Engineering (MeSsAGE) Lab and the University of Queensland Research Computing Centre, (RCC) in which disruptive technologies are trialled in practice. These platforms incorporate a student training component that offers international research internships to undergraduates, and a virtual seminar program that allows local researchers and students to interact with some of the world's leading experts. Through industry engagement, the platforms also lead to commercial outcomes that have longer term benefits for the research organisations. 12:00 Lunch – Level 2 – 1:30 Birds of a Feather (BOF) Lunches in the Clarendon Room, Level 5 p.m. • John Taylor: Keynote speakers. • Nick Car: Provenance capture, storage and management tools – Where are we up to in 2016? • Justin Baker: Virtual reality for scientific visualisation. • Liming Zhu: Data platforms and distributed analytics. 1:30 – Research data management Computational imaging and Computationally intensive Computational geosciences Advanced materials and 3:00 Chair: Gareth Williams visualisation environmental modelling Chair: Thomas Poulet modelling p.m. Room: Clarendon Chair: Dadong Wang Chair: Emlyn Jones Room: Clarendon C Chair: Sam Yang Auditorium Room: Clarendon E Room: Clarendon D Room: Clarendon F Scale and Performance: Graph-based segmentation Numerical modelling of Fast x-ray computed No more volume-resolution Servicing the Fabric and the Xuming He, Data61 suspended sediment microtomography applied to limits: multi-scale rock image Workshop transport in GBR multi-phase flow through fusion Steve Quenette, Monash Nugzar Margvelashvili, O&A porous media Kirill Gerke, Melbourne eResearch Centre Ryan Armstrong, UNSW University Page 3 of 14 Visualisation Tools for Wide Data fusion for the High dimensional particle- Discrete fracture networks in Modelling of Electron Beam Application to CSIRO Data monitoring of land covers filters for quantifying soil probabilistic excavation Additive Manufacturing of Cubes Peter Caccetta, Data61 carbon stocks: an application analysis and blast design for Aluminium alloys Peter Briggs, O&A to the Millennium Tillage mining Vu Nguyen, Manufacturing 3D Imaging-Guided High Trial, New Zealand Marc Elmouttie, Energy Data Processing eResearch Throughput Optimisation of Dan Pagendam, Data61 Computational design of Collaboration projects Stem Cell Differentiation Synthetic Geology - Exploring aerospace coatings update Ron Li, Data61 Comparison of uncertainty the 'what if?' in geology Fiona Chen, Manufacturing Chris Russell, IMT estimation methods for Jens Klump, Mineral Robert Davy, IMT Recent feasibility studies of extreme events Resources Exploring adsorption X-ray phase-contrast Quanxi Shao, Data61 configurations of small OzNome mammographic tomography Multiscale model for molecules on metal and alloy David Lemon, L&W with synchrotron and Performance enhancements predicting shear zone surfaces laboratory sources in SHOC using MPI and GPU structure and permeability in Michael Breedon, Tim Gureyev, University of technologies deforming rock Manufacturing Melbourne Farhan Rizwi, O&A Gerald Pereira, Data61 Data Analytics and Machine Constraining a 3D geological simulations for Learning in Nanomaterials computationally expensive mineral exploration: Discovery high dimension marine BGC transferring our workflow Michael Fernadez Llamosa, model of the Great Barrier from the desktop to a Manufacturing Reef using data assimilation supercomputer Emlyn Jones, O&A Heather Sheldon, Mineral Resources Simulating the Australian climate at regional scales using the Conformal Cubic Atmospheric Model Marcus Thatcher, O&A Paul Ryan, IMT 3:00 – Afternoon Tea 3:30 p.m. Page 4 of 14 3:30 – Research data publication Computational imaging and Computational modelling of Extreme event modelling Advanced materials and 5:00 & impact visualisation natural hazards and impact study modelling p.m. Chair: Anne Stevenson Chair: Dadong Wang Chair: Vincent Lemiale Chair: Quanxi Shao Chair: Sam Yang Room: Clarendon Room: Clarendon E Room: Clarendon D Room: Clarendon C Room: Clarendon F Auditorium Big Data Challenges for the Scyllarus: crossing the chasm An integrated approach to Statistical modelling of Density functional theory Science of Small Things between imaging urban flood modelling and extreme climate events modelling of ZnO nanowires for Amanda Barnard, spectroscopy research and adaptation Warren Jin, Data61 gas sensor reactions Manufacturing an application programming Mahesh Prakash, Data61 Michelle J.S. Spencer, RMIT interface From knowledge to action: Shining Light into the Black Antonio Robles-Kelly, Data61 City Engines – A tool to where extreme events The Materials Genome in Box - Publication and manage risks for resilient research fits Action: Identifying the Citation of Scientific The emergence of large communities Steven Crimp, Agriculture Performance Limits of Physical Software clinical studies merging Yong-Bing Khoo, L&W Hydrogen Storage Jens Klump, Mineral genomics, biomarkers, and Data analytics approach to Aaron Thornton, Manufacturing Resources imaging, challenges Use of high-resolution detecting flood-triggered bioinformatics capabilities regional models for connectivity between river Accurate electronic-structure Who’s been using my stuff? Olivier Salvado, H&B simulation of extreme channel and floodplain modelling with Quantum Tracking data citations weather and other natural Tony Zhao, L&W Monte Carlo Dom