Applications are invited for a Research Fellow in Computer Programming for Molecular Simulation to work with Professor Peter Coveney in the Department of Chemistry at University College London. The successful candidate will join a very active cross-disciplinary group in the Centre for Computational Science. A PhD degree in bio-molecular dynamics modelling for protein-ligand alchemical binding…
The UCL Centre for Doctoral Training in Molecular Modelling and Materials Science is offering a 4-year fully funded studentship in collaboration with Hexcel (http://www.hexcel.com) to a highly motivated candidate to start in September 2019. The student will develop and implement the multiscale modelling methodologies required to investigate polymer nanocomposites with particular focus on epoxy-resins, while…
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…
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 to life sciences and medicine.…
Check out VECMA’s new YouTube channel, currently featuring videos of talks from our project Kick-Off meeting. More content coming soon!
The VECMA project has previously made three releases internal to the project (at Months 1, 3 and 6), and have already successfully applied two components (FabSim3 and EasyVVUQ) to multiple applications. The Month 9 release of the VECMA VVUQ Toolkit has occurred on schedule, on Thursday 14 March, 2019. It is comprised of two parts:…
As of January 16th 2019, the FabSim3 GitHub repository is entirely public, allowing users to download any version of the code and to read and contribute to the various issues raised in the repository. Switching to open development has several major advantages, as the FabSim3 Development Team announced: “We like external users to use FabSim3,…
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.
A new VECMA paper has been accepted for publication in Physical Chemistry Chemical Physics, on Micromechanical Exfoliation of Graphene on the Atomistic Scale. Graphene is known for being the strongest material in the world, lightweight and with extraordinary electrical, thermal and optical properties. Unsurprisingly, it offers many benefits for commercial application. There are various methods for producing graphene…
A theme issue dedicated to ‘Multiscale modelling, simulation and computing: from the desktop to the exascale’ has been published in the Transactions of the Royal Society A. The theme issue presents cutting-edge research in generic multiscale modelling and multiscale computing, and applications thereof on high-performance computing systems. It starts with a position paper to discuss…
