News

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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CompBioMed2 proposal accepted

In March this year we were particularly busy finalising the CompBioMed2 proposal for the 2018-2020 call from the Commission for Centres of Excellence. In July we found that we are successful in this bid, and we have been working towards putting the Grant Agreement in place. We are excited to ...
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IEEE eScience 2018 paper accepted

Peter Coveney’s group at UCL have had a paper accepted for a talk IEEE eScience 2018. The paper is about “Concurrent and Adaptive Extreme Scale Binding Free Energy Calculations”. The IEEE eScience conference 2018 takes place in Amsterdam on 29 October – 1 November 2018 ...
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ELEM Biotech starts business

BSC’s spinoff company ELEM Biotech is born to commercialize on a Cloud-Deployed Software-as-a-Service basis the use of the HPC-based simulation code Alya for biomedical research. ELEM will become a Virtual Humans Factory, where in-silico trials can be performed thanks to a specifically designed user interface. Although ELEM’s first target will ...
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