In this case study, we hear from Alan Jones (Pharmacy), who has been making use of BlueBEAR to enable his research in drug discovery. My names is Alan Jones. I am an Associate Professor based in the School of Pharmacy. My research interests are linked to drug discovery in the widest sense (making, optimising, and developing new … Continue reading “Leveraging computational resources to simulate small molecule–protein dynamics“
Tag: HPC
Unraveling the Secrets of Viscous Fluids: Harnessing the Power of Research Computing
In this case study, we hear from Roberto Hart-Villamil (EngD Formulation Eng FT), who has been making use of BlueBEAR to enable his research into temperature sensitivity and how it affects everyday products. Ever packed your favourite cream for a vacation in a tropical paradise, only to discover it’s turned into an unrecognizable goo? You’re not … Continue reading “Unraveling the Secrets of Viscous Fluids: Harnessing the Power of Research Computing”
Computational Fluid Dynamics (CFD) – Special Interest Group rebooted
CFD is used in a variety of engineering disciplines, including civil, railway, river, coastal, tidal, meteorological, and chemical engineering. There are a variety of CFD packages commercially available including ANSYS CFX, ANSYS FLUENT and the open source software OpenFoam. Bruno Fraga, the chair of the CFD special interest group is inviting you to be part of this group. Bruno has organised the CFD seminar … Continue reading “Computational Fluid Dynamics (CFD) – Special Interest Group rebooted”
Statistical modelling to map and measure crimes against women and children
In this case study, we hear from Dr. Rowland Seymour (Mathematics), who has been making use of help from the BEAR software group to enable his research into safeguarding women. I’m an Assistant Professor in Mathematics and my research involves developing statistical tools to map and measure crimes, such as human trafficking and violence against women … Continue reading “Statistical modelling to map and measure crimes against women and children”
Street-scale resolution air quality modelling for the West Midlands
In this case study, we hear from Dr Jian Zhong (Geography, Earth and Environmental Science), who has been making use of BlueBEAR to enable his research in air quality modelling. I am a Research Fellow in Urban Air Quality Modelling in the Geography, Earth & Environmental Science. My research has focused on urban air quality modelling, urban … Continue reading “Street-scale resolution air quality modelling for the West Midlands”
BEAR Challenge 2022
After a two year hiatus, the BEAR Challenge is back! The popular three day event was held on June 21st-23rd and attended by seven teams of 3-5 undergraduate and taught postgraduate students (see below). The teams tackled a heady array of machine learning, deep learning, data engineering, parallelisation, and computer cluster design challenges using the … Continue reading “BEAR Challenge 2022”
How Green is the BEAR? Sustainable Supercomputing
Last week we attended the University’s Sustainability Town Hall where we could be found on the IT Services stand, discussing our response to the challenge of delivering sustainable supercomputing. On our agenda for more than a decade, the major breakthrough for BEAR came with the adoption of direct liquid cooling in 2015. Read on to … Continue reading “How Green is the BEAR? Sustainable Supercomputing”
Further Coding Club sessions (May-July)
We’re happy to announce a further 3 coding club sessions, these range from building pipelines and using GPU’s to a workshop where you can bring in your issues, queries and questions. Our aim is to build a community of members of the University who would like to learn and share good software practices. We meet … Continue reading “Further Coding Club sessions (May-July)”
Jenny’s first week as an RSE at BEAR
Hi everyone, my name is Jenny and I joined BEAR as a Senior Research Software Engineer in December 2021. I studied at the University of Leeds and my background is in applied mathematics. I hold a PhD in fluid dynamics, and I spent three years as a postdoc in France investigating two phase flows in … Continue reading “Jenny’s first week as an RSE at BEAR”
Joining Advanced Research Computing
On behalf of Dr Ryan Pepper Since March, I’ve been working in the BEAR team as a Research Software Engineer (RSE). For those who are not familiar with the term, RSEs are effectively software engineers with either a background or interest in working on problems in academic research, who work with researchers to write code … Continue reading “Joining Advanced Research Computing”