Entrance hall of the ICMSWorkshop

NAIS: State-of-the-Art Algorithms for Molecular Dynamics

Apr 30, 2012 - May 04, 2012

Organisers

Name Institution
Beckett, George University of Edinburgh
Leimkuhler, Ben University of Edinburgh

The workshop will be held from Wednesday May 2 to Friday May 4, 2012.  The programme will consist of 12 speakers addressing a range of topics related to (i) the algorithmic challenges that will be required to enable exploration of large scale applications, and (ii) the molecular dynamics applications that most clearly require the computing capacity of future-generation HPC systems.  The workshop will be preceded by a tutorial held April 30- May 2.  Although the tutorial is now fully booked, there are still places in the workshop.

FOR FURTHER INFORMATION ABOUT THE SCIENTIFIC CONTENT OF THE WORKSHOP, PLEASE FOLLOW THIS LINK TO THE NAIS WEBSITE.

 

Arrangements

Please note that the tutorial will begin with registration from 12.00 to 13.00 on Monday 30 April.   During this Regsitration a light buffet lunch will be provided.   The workshop will begin with registration and lunch from noon on Wednesday 2 May and will close at lunchtime on Friday 4 May.  The meeting comprises two parts (see information above).   Please take these timings into account when booking your travel. 

 

Participation
REGISTRATION IS NOW CLOSED.

 

Registration Fee Payment:  

credit/debit card payment form

Payment is due ONLY once you have received confirmation that your application has been accepted.  This should be paid in advance of the meeting by completing the details on the credit/debit card payment form.   As email is not secure, please print the form and return it by fax using the fax number at the top of the form.   ICMS will take your payment and a receipt will be emailed to you.  Alternatively, we can accept sterling cheques, made payable to Heriot-Watt University but sent to Audrey Brown, ICMS, 15 South College Street, Edinburgh, EH8 9AA.  If you have any difficulty in paying in advance, please email audrey.brown@icms.org.uk 

The registration fee for this workshop is 140.00 GBP for all categories of staff attending.
PhD Students attending the Tutorial will be charged 50.00 GBP, plus 90.00 GBP for attending the Workshop also.
UK-based PhD Students may apply for the registration fee to be waived - please follow the instructions on the registration form.  

 

Venue
The meeting will be held at ICMS, 15 South College Street, Edinburgh, EH8 9AA. The Tutorial Sessions will be held in the Cramond and Swanston Rooms and the Workshop will be held in the Newhaven Lecture Theatre. To view this room and a list of the visual equipment available click here. In addition, two blackboards have recently been installed. Follow this link for a map showing the location of 15 South College Street, or this map may also prove useful. Invited speakers can either bring talks on a memory/usb stick or laptop.

 

Travel
Information about travel to the UK and Edinburgh is available here.  Please note that it is your responsibility to have adequate travel insurance to cover medical and other emergencies that may occur on your trip.

A taxi directly from the airport will cost approximately 15.00 to 20.00 GBP to the city centre for a one-way journey.     There is also a bus service direct from the airport to the city centre which will cost 3.50 single or 6.00 GBP return - the Airlink 100.  This is a frequent service (every 10 minutes during peak times) and will bring you close to Waverley Railway Station and the workshop venue. 

Lothian buses charge £1.40 for a single, £3.50 for a day ticket. Please note that the exact fare is required and no change is given.

If travelling by train, please note that Edinburgh has two railway stations; Waverley Railway Station being the main station and closest to the workshop venue at 15 South College Street. If you alight at Edinburgh Waverley, the workshop venue is an easy 10 minute walk over North and South Bridge. The second railway station is called Haymarket and is at the West End of the city centre.

 

UK Visas
If you are travelling from overseas you may require an entry visa. A European visa does not guarantee entry to the UK. Please use this link to the UK Visas site to find out if you need a visa and if so how to apply for one.

 

Accommodation
Participants are asked to make and cover the cost of their own accommodation arrangements. A list of Edinburgh accommodation of various sorts and prices is available here
Invited Speakers will be contacted separately by email regarding accommodation - ICMS will book hotel accommodation for Invited Speakers and will email full details of the booking.

 

Poster Session
If possible, please ensure that your poster is A1 Portrait size as this will help with space restrictions.   On Wednesday 2 May in the evening, there will be a finger buffet  and informal wine reception at ICMS.  During this, workshop participants have an opportunity to exhibit a poster, showcasing their active research.  On Wednesday afternoon, there is a session in which each exhibitor will have 4 minutes to introduce their poster - a little like an 'elevator pitch'. The introduction may be accompanied by a small number of slides, if this is useful. 

 

Meals and Refreshments
Refreshments will be provided during the breaks in the Programme.   The Tutorial will open with Registration from 12.00 to 13.00 on Monday 30 April.   Lunch will be provided on Monday,Tuesday, Wednesday and Thursday of the workshop.   Please note that no lunch is provided on Friday (at the close of the workshop) as participants will wish to begin their onward travel. 

On Wednesday evening, ICMS will host a finger buffet with wine and refreshments at the time of the Poster Session. 

The conference dinner will be held at Rainy Hall, (in New College) on Thursday 3 May 2012.  

 

Wireless Access
The meeting venue, 15 South College Street, has wireless access throughout. On arrival you will be given instructions and a code for accessing the wireless network.

All enquiries about arrangements for this meeting should be addressed to audrey.brown at icms.org.uk   

 

Programme

FOR FURTHER INFORMATION ABOUT THE SCIENTIFIC CONTENT OF THE WORKSHOP, PLEASE FOLLOW THIS LINK TO THE NAIS WEBSITE.    (TUTORIAL PARTICIPANTS WILL HAVE BEEN EMAILED THE TUTORIAL PROGRAMME).

 

Participants

Name Institution
Akkermans, Reinier Accelrys
Allen, Rosalind University of Edinburgh
Andritsos, Eleftherios Queen Mary, University of London
Anthopoulos, Athanasios Cardiff University
Antonczak, Serge University of Nice
Banas, Lubomir Heriot-Watt University
Beckett, George University of Edinburgh
Bello-Rivas, Juan M Universidad Complutense de Madrid
Bittracher, Andreas Technische Universität München
Burusco-Goni, Kepa K University of Manchester
Calabrò, Gaetano University of Edinburgh
Cannon, Daniel University of Strathclyde
Cardenas, Alfredo University of Texas
Carr, Matthew University of Edinburgh
Cheatham, Thomas University of Utah
Chue Hong, Neil University of Edinburgh
Cole, Jacqui University of Cambridge
Coveney, Peter University College London
Cuchillo, Remi University of Edinburgh
Del Regno, Annalaura University of Manchester
Dhillon, Amarjit NVIDIA
Diharce, Julien University of Nice-Sophia Antipolis
Edmunds, David Imperial College London
Elber, Ron University of Texas at Austin
Escribano, Bruno Basque Center for Applied Mathematics
Farce, Amaury Université Lille 2
Garcia Barrachina, Luis University of Seville
Gerogiokas, Georgios University of Edinburgh
Guest, Martyn Cardiff University
Hardy, David University of Illinois at Urbana-Champaign
Hess, Berk Kungliga Tekniska högskolan
Holroyd, Leo University of St Andrews
John, Sebastian University of Cambridge
Johnson, Nick EPCC, University of Edinburgh
Kiernan, Danny NVIDIA
Kunze, Micha Ben Achim University College London
Laughton, Charlie University of Nottingham
Laurent, Xavier Université Lille 2
Leimkuhler, Ben University of Edinburgh
Lindahl, Erik KTH Stockholm & Swedish e-Research Centre
Lintuvuori, Juho University of Edinburgh
Lion, Thomas University of Edinburgh
Lopez-Medrano, Alvaro Plebiotic
Lunari, Andrea Heriot-Watt University
Marenduzzo, Davide University of Edinburgh
Marsalek, Ondrej Academy of Sciences of the Czech Republic
Martinez, Roldan Plebiotic
Martyna, Glenn IBM TJ Watson Research Center
Matthews, Charles University of Edinburgh
Mendez Granado, Juan Pedro University of Seville
Merget, Benjamin University of Würzburg
Michel, Julien University of Edinburgh
Miszta, Przemyslaw The International Institute of Molecular and Cell Biology
Mlynarczyk, Krzysztof Faculty of Chemistry, University of Warsaw
Morrison, Carole University of Edinburgh
Mouat, Adrian University of Edinburgh
Naithani, Ankita University of Edinburgh
Narkhede, Yogesh University of Würzburg
Niewieczerzal, Szymon International Institute of Molecular and Cell Biology in Warsaw
Noorizadeh, Emad University of Edinburgh
Noy, Efrat Bar-Ilan University
Ortiz Suarez, Maite University of Cambridge
Páll, Szilárd KTH Royal Institute of Technology
Palma, Amedeo CNR - Italian National Research Council
Paramo, Teresa University of Cambridge
Parfitt, Matthew NVIDIA
Payne, Mike University of Cambridge
Pinska, Adrianna University of Cape Town
Porrini, Massimiliano University of Edinburgh
Renault, Nicolas Université Lille 2
Saracino, Gloria A A Univeristy of Milano-Bicocca
Shahamat, Moeed McGill University
Smith, Lorna University of Edinburgh
Stenhammar, Joakim University of Edinburgh
Stucki, Sandro Université Paris Diderot - Paris 7
Swadling, Jacob University College London
Tabaee Damavandi, Pardis University of Strathclyde
Tomasio, Susana University of Cambridge
Turner, Andrew University of Edinburgh
Uhlig, Frank Academy of Sciences of the Czech Republic
Victor Paul Raj, Fredrick Robin Devadoss University of Konstanz
Walker, Ross University of California San Diego
Wheeler, Sophia University of Southampton
Woods, Christopher University of Bristol
Wu, Rongliang International Institute of Molecular and Cell Biology in Warsaw
Zannoni, Claudio University of Bologna