Skip to main content Skip to navigation

"Computing Matters" Workshop

January 23rd 2015

Scarman Conference Centre - Meeting Room 10

MidPlus One-Day Workshop

Centre for Scientific Computing, University of Warwick

Organiser: Rob Deeth (Chemistry), M. Rodger (CSC), R.A. Roemer (Physics)



Top

Computing Matters - Background and Purpose

The MidPlus centre of Excellence has been formed to enable business to connect with academics. As businesses are faced with operating in a tough economic landscape, they need to get the advantage over others. These idea’s take planning and time to market with limited resources. If a business can run a more detailed analysis on a potential product, doing this on a HPC platform would lead to a better designed product, as this would take far too long on a conventional computer. This is where the MidPlus centre of excellence can help turn your ideas into viable products or enhancing your portfolio.

The themes of the meeting will be around

  • Active Matter – Life Sciences
  • Passive Matter – Materials Sciences
  • Virtual Matter – High performance computing, allowing prototyping through Scale, Volume and Data

Speakers from academia will talk around these themes and how they are able to utilise the resources to overcome these challenges. Speakers from industry will talk about real challenges faced by businesses, so a focus on methods and results they have generated for actual case studies or research.

What’s in it for your organisation?
  • Taster session on the technology
  • Dedicated resources for specific projects
  • Access to specialist knowledge and expertise

So join us for the day to network with others and gain an insight of how we can help you.


Top

MidPlus - Computing for Academics and Businesses

The MidPlus Centre of Excellence has been established with an initial investment in e-Infrastructure of £3.5M (£2.0M from EPSRC and £1.5M from the partner Universities) that will buld upon exisiting infrastructure and expertise to provide:

  • High Performance Computing (HPC) through a capability cluster (Warwick; 2700 cores, infiniBand, some GPU and large-memory SMP nodes) to be combined with Warwick’s existing cluster to give a 6000 core cluster and so maximise scope for large massively parallel jobs; and a high throughput cluster (QMUL, 2900 cores) to facilitate projects that require multiple runs to span large parameter spaces or analysis of multiple data steams.
  • Data storage and archive facilities (mirrored at Birmingham and Nottingham for data integrity) to enable mid- and long-term storage of research data (initially ~1 PB, and with a vast expansion capacity), and the management structures to enable metadata-based search and retrieval with secure implementation of a range of user-specified levels of privacy.

MidPlus builds an intellectual superstructure on top of the e-Infrastructure that

  • actively promotes collaborations that cross disciplinary and institutional boundaries.
  • provides a coordinated systems to enable industries with existing expertise to use these facilities - either to deal with the peaks in their internal demand for computer facilities or as an alternative to establishing their own.
  • provides an expertise-base to nurture new industrial use of this e-Infrastructure
  • creates a strategic framework within which to sustain and develop the regional e-Infrastructure.
  • This intellectual superstructure enables MidPlus to offer services that add much more value than could be obtained from the bare e-Infrastructure or, indeed, from industrial cloud computing services.

Top

Global Research Priority "Materials" - The Modelling Theme

The Materials GRP is a network of over 100 academics across several departments at Warwick. It reflects Warwick’s commitment to multi-disciplinary materials research. It embraces activity within the Departments and Schools of Chemistry, Engineering, Life Sciences, Mathematics, Physics and Medicine, as well as the interdisciplinary Centres for Complexity, Scientific Computing, Analytical Science, Systems Biology and MOAC.

Modelling is a cross-cutting theme with actual and potential application across all the Materials GRP themes from molecular simulations of biomaterials through quantum treatments of electronic materials, from new methodologies for treating rare events like crystal nucleation and growth to modelling mass transport near microelectrodes, and more.


Top

Preliminary Programme

Version 220115

Time Title Speaker
09:00-9:45 Registration  
09:45-10:00 Welcome  
  session chair Cliff Brereton
10:00-10:25 Predictive Modelling in Science and Engineering Prof. Nicholas Zabaras
5 min discussion  
10:30-10:55 Marching towards Exascale Crispin Keable
5 min discussion  
11:00-11:30 Academic Speed Dating with tea, coffee and biscuits
  session chair Prof. N. Zabaras
11:30-11:55 Enhanced Capability for Hard and Soft Materials simulation with MidPlus Dr. David Quigley
5 min discussion  
12:00-12:25 The 4 Forces of Change for Intense-Computing Cliff Brereton
5 min discussion  
12:30-12:45 Using MidPlus Computing Resources in Practice Prof. Mark P Rodger
12:45-14:15 poster session + lunch  
  session chair Crispin Keable
14:15-14:25 HEC-BioSim: the use of high-performance computers in biomolecular simulation Dr. Gareth Shannon
5 min discussion  
14:30-14:55 Multiscale modelling for optimum processing and properties of polymer nanocomposites Dr. Lukasz Figiel
5 min discussion  
15:00-15:25 Virtual Prototyping Between Industry and Computing Matters. Rajab Said
5 min discussion  
15:30-16:00 poster session + tea, coffee and biscuits  
  session chair Prof. M.P. Rodger
16:00-16:25 Massively Parallel Optical Communication System Simulator Dr. Marc Eberhard
5 min discussion  
16:30-16:55 'Enabling Exascale Computing with Intel architecture'
Gaurav Kaul
5 min discussion  
17:00-17:30 poster session  
17:30-18:30 Farewell and/or drinks  
18:30-20:00 Lounge dinner and drinks  


Top


Participants

The workshop will start at 9.00am at the Scarman Conference Centre, University of Warwick. Note that the university is located at the outskirts of Coventry and not in Warwick. For travel directions please visit this page on Scarman's website. Reserved parking is available at the conference centre.

Please note that there are considerable road works in the area so please allow extra time for your journey.

Name Affiliation Contribution Title
Prof. Philip M. Rodger University of Warwick Organiser  
Prof. Rudolf A. Römer University of Warwick Organiser  
Dr. David Quigley
University of Warwick
Speaker
Enhanced Capability for Hard and Soft Materials simulation with MidPlus
Prof. Nicholas Zabaras
University of Warwick
Speaker
Predictive Modelling in Science and Engineering
Rajab Said
ESI
Speaker
Virtual Prototyping Between Industry and Computing Matters.
Cliff Brereton
Hartree
Speaker
'The 4 Forces of Change for Intense-Computing'
Gaurav Kaul
Intel Corp
Speaker
'Enabling Exascale Computing with Intel architecture'
Crispin Keable
Bull UK
Speaker
Marching towards Exascale
Dr Lukasz Figiel
University of Warwick
Speaker
Multiscale modelling for optimum processing and properties of polymer nanocomposites
Dr Marc Eberhard
Aston University
Speaker
Massively Parallel Optical Communication System Simulator
Dr Gareth Shannon
University of Nottingham
Speaker
HEC-BioSim: the use of high-performance computers in biomolecular simulation
Aslam Ghumra University of Birmingham Delegate  
Greg Howard University of Birmingham Delegate  
Dr James Kermode University of Warwick Delegate  
Mr Thomas Lawson University of Birmingham Delegate  
Dr Ralf Weber University of Birmingham Delegate  
Mahesh Pancholi Queen Mary's University London Delegate  
Dr Soroosh Afyouni University of Warwick Delegate  
Neophytos Neophytou University of Warwick Delegate  
Dr Yongmann Chung University of Warwick Delegate  
Dr G N Manjunatha Reddy University of Warwick Delegate  
Dr Scott Habershon University of Warwick Delegate  
Prof Robert Kerr University of Warwick Delegate  
Jasmine Desmond University of Warwick Poster Adsorption at the Aqueous Electrolyte-Silica Interface
Mr Gerald La Touche Independent Consultant developing saas Delegate  
Antonino Savojardo University of Warwick Poster Rogue wave occurrence in optical fiber
Maximilian Saller University of Warwick Poster Trajectory-guided multidimensional quantum dynamics
Dr Peter Brommer University of Warwick Delegate  
Sam Brown University of Warwick Poster Machine-Learning for Structure-Prediction of Nanotube-encapsulated Crystals
Ian Barnor Ian Samuels Tech Consultancy develops web applications in big data analytics. Delegate  
Edoardo Carnio University of Warwick Poster Robust entanglement under multipartite correlated dephasing
Ms Ritchie Mae Gamot Warwick University Delegate  
Prof Francisco Dominguez-Adame Warwick University Poster Graphene-based devices: Novel developments for nanoelectronics
Jack Davis University of Birmingham Poster Global Optimisation of Palladium-Iridium Nanoalloys
Ms Haiyuan Wangs University of Warwick Poster The study of surface structure and Ga segregation in MnSb(0001) surface using first principles
Mr Yulong Lu University of Warwick Joint Poster Model coupling and applications
Mr Oliver Dunbar University of Warwick Joint Poster Model coupling and applications
Mr Alexander Hubert University of Warwick Poster Digital Diffraction "Seeing the Whole Picture"
Mr Jorge Lindley University of Warwick Poster Two-Dimensional Downscale Energy Cascades
Mr Andrew M Goldsborough University of Warwick Poster Self-assembling tensor networks and holography in disordered spin chains.
Mr James Earl-Fraser
HPC Midlands - Loughborough University Delegate  
Mr Paul Hatton University of Birmingham Delegate  
Ms Leonor Garcia Gutierrez University of Warwick Poster Particle-based mesoscale modelling of blood flow in microvessels
Mr Chinedu Nwaigwe
University of Warwick Delegate  
Dr Keith Evans University of Warwick Poster Felixsim : A new, free to use, open source, Bloch wave simulation program
Mr Michael Ambler University of Warwick Poster Calculation of Interfacial Free Energies for Two-Phase Systems via Capillary Waves
Mr Ebiyibo Collins Ouserigha University of Warwick Delegate  
Mr Yuanwei Xu University of Warwick Delegate  

Top


Venue

Registration will be held in Scarman Conference Centre from 9.00am.

The workshop will start with presentations at 9.45 am Note that the university is located at the outskirts of Coventry and not in Warwick. For travel directions please visit this page on Scarman's website. Reserved parking is available at the conference centre.


Please note that there are considerable road works in the area so please allow extra time for your journey.


MidPlus Logo

 

Warwick GRP logo

Globe between hands

COMPUTING MATTERS POSTER

warwick.gif

csc_logo800.jpg

Birmingham Logo

Queen Mary Logo

uon-uk-c-m.bluergb.png

EPSRC Image