News

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 ...
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Recruiting for a Research Fellow in Biomedical Molecular Dynamics for Drug Discovery and Personalised Medicine

Applications are invited for a Research Fellow to work with Professor Peter Coveney in the Department of Chemistry at University College London. The successful candidate will join a very active inter­disciplinary group in the Centre for Computational Science, working on projects in fields ranging from condensed matter physics and chemistry ...
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Prof Peter Coveney Appointed Professor at University of Amsterdam

Effective today, 1 March 2019, Prof Peter Coveney is professor by special appointment in the Informatics Institute at the University of Amsterdam (UvA). The chair, in Applied High Performance Computing, will run concurrently with his UCL appointment ...
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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 ...
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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 ...
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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 ...
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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 ...
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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 ...
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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 ...
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CompBioMed involved in two BOF sessions at SC18

CompBioMed have been successful in gaining a Birds Of a Feather (BOF) sessions at SC18 and will be very actively participating in another from PRACE and EXDCI2. Cristin Merritt of Alces Flight, one of our Associate Partners, instigated the application of this BOF to SC18 based on the one that ...
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