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Visitor Programme, University of Warwick with University of Geneva

On 20th March 2018 – 27th March 2018 Ritabrata Dutta of University of Warwick visited Bastien Chopard at the University of Geneva for a research visit. Within CompBioMed, Bastien Chopard develops a new technique to analyse platelets functions in patients with various blood diseases. This work is in collaboration with Karim Zouaoui (ULB, associate partner…

HemeLB: cardiovascular modelling and simulation in UKCOMES, 29-30 May 2019

UKCOMES are hosting a meeting on “HemeLB: cardiovascular modelling and simulation in UKCOMES” centred around lattice Boltzmann simulations for blood flow. As part of the meeting, researchers at UCL will introduce and demonstrate the use of their HemeLB application and the progress they have made towards simulating the whole arterial tree. There will be talks…

Summit Node Hour Allocation Awarded to UCL

The Centre for Computational Science at UCL has been awarded an allocation of 25,000 Summit node hours through 31 July 2019. This is the equivalent, to about 15 million core hours on Titan, the former number one in the Top 500 list of supercomputers, which we have been working on for over a year. The…

CompBioMed paper published on Ensemble-Based Replica Exchange Alchemical Free Energy Methods

Ensemble-Based Replica Exchange Alchemical Free Energy Methods: The Effect of Protein Mutations on Inhibitor Binding Agastya P. Bhati, Shunzhou Wan, and Peter V. Coveney Journal of Chemical Theory and Computation (2018) DOI: 10.1021/acs.jctc.8b01118 Mutations enable proteins to tailor molecular recognition with small-molecule ligands and other macromolecules, and can have a major impact on drug efficacy.…

CompBioMed Joins eInfraCentral

eInfraCentral is a Coordination and Support Action funded under the EU’s Horizon 2020 framework programme. Its mission is to ensure that by 2020 a broader and more varied set of users benefits from European e-Infrastructures. The project answers researchers’ and service providers’ need for a catalogue and platform where all can browse, search, compare and…

Successful applicant for HPC-Europa3 programme

We are please to announce that Dr Grigor Arkelov, from the Academy of Sciences of the Republic of Armenia, Yerevan, has been awarded an HPC-Europa2 Transnational Access award, based at UCL, and will commence his 13 week visit within the next 6 months.

17th PRACE Call for Project Access

There is a new batch of HPC resources available for our Centre of Excellence, as part of the reserve that PRACE has been applying to all the CoEs since the 12th Call for Project Access. This reserve is linked to the 17th PRACE Call for Project Access. Until 31 March 2019, the following allocations are…

Commission of SuperMUC-NG at LRZ

German Prime Minister Markus Söder participated in the commissioning of the national supercomputer SuperMUC-NG at the Leibniz supercomputing center (LRZ) in Garching on September 24, 2018.