ACRC enabled research
HPC enabled research linked to the HPC Facility in PURE can now be seen on this PURE web-page.
If you have published research which used the ACRC HPC facilities please remember to add a 'relation' to the HPC Facility in PURE so that your research can be listed here.
Acknowledging ACRC in Publications and news articles
When you write articles about your research for publication, conference proceedings or for other reasons, please acknowledge use of the ACRC facilities by including the following:
This work was carried out using the computational facilities of the Advanced Computing Research Centre, University of Bristol - http://www.bristol.ac.uk/acrc/.
2022 research news
Scientists have discovered when beetles became prolific
Researchers at the University of Bristol have found that beetles first roamed the world in the Carboniferous and later diversified alongside the earliest dinosaurs during the Triassic and Jurassic. Using a previously published and carefully curated 68-gene dataset, the scientists ran a battery of mathematical models to reconstruct the evolution of protein sequences - the results of which, have been published in Royal Society Open Science.
2021 research news
Understanding enzyme evolution paves the way for green chemistry
Researchers at the University of Bristol have shown how laboratory evolution can give rise to highly efficient enzymes for new-to-nature reactions, opening the door for novel and more environmentally friendly ways to make drugs and other chemicals.
How vitamins, steroids and potential antivirals might affect SARS-CoV-2
Evidence is emerging that vitamin D – and possibly vitamins K and A – might help combat COVID-19. A new study from the University of Bristol published in the journal of the German Chemical Society Angewandte Chemie has shown how they – and other antiviral drugs – might work. The research indicates that these dietary supplements and compounds could bind to the viral spike protein and so might reduce SARS-CoV-2 infectivity. In contrast, cholesterol may increase infectivity, which could explain why having high cholesterol is considered a risk factor for serious disease.
Research shows emissions of banned ozone-depleting substance are back on the decline
Global emissions of a potent substance notorious for depleting the Earth’s ozone layer – the protective barrier which absorbs the Sun’s harmful UV rays – have fallen rapidly and are now back on the decline, according to new research.
DeepMIP: model intercomparison of early Eocene climatic optimum (EECO) large-scale climate features
We present results from an ensemble of eight climate models, each of which has carried out simulations of the early Eocene climate optimum (EECO, ∼ 50 million years ago). These simulations have been carried out in the framework of the Deep-Time Model Intercomparison Project (DeepMIP; http://www.deepmip.org, last access: 10 January 2021); thus, all models have been configured with the same paleogeographic and vegetation boundary conditions. The results indicate that these non-CO2 boundary conditions contribute between 3 and 5 ∘C to Eocene warmth.
The Trans-Ancestral Genomic Architecture of Glycemic Traits
Glycemic traits are used to diagnose and monitor type 2 diabetes, and cardiometabolic health. To 462 date, most genetic studies of glycemic traits have focused on individuals of European ancestry. Here, 463 we aggregated genome-wide association studies in up to 281,416 individuals without diabetes (30% 464 non-European ancestry) with fasting glucose, 2h-glucose post-challenge, glycated hemoglobin, and 465 fasting insulin data. Trans-ancestry and single-ancestry meta-analyses identified 242 loci (99 novel; 466 P<5x10-8), 80% with no significant evidence of between-ancestry heterogeneity.
Deep Learning for Ultrasonic Crack Characterization in NDE
Machine learning for nondestructive evaluation (NDE) has the potential to bring significant improvements in defect characterization accuracy due to its effectiveness in pattern recognition problems. However, the application of modern machine learning methods to NDE has been obstructed by the scarcity of real defect data to train on. This article demonstrates how an efficient, hybrid finite element (FE) and ray-based simulation can be used to train a convolutional neural network (CNN) to characterize real defects.
A potential interaction between the SARS-CoV-2 spike protein and nicotinic acetylcholine receptors
Changeux et al. recently suggested that the SARS-CoV-2 spike protein may interact with nicotinic acetylcholine receptors (nAChRs) and that such interactions may be involved in pathology and infectivity. This hypothesis is based on the fact that the SARS-CoV-2 spike protein contains a sequence motif similar to known nAChR antagonists. Here, we use molecular simulations of validated atomically detailed structures of nAChRs and of the spike to investigate the possible binding of the Y674-R685 region of the spike to nAChRs.
2020 research news
Discovery of a druggable pocket in the SARS-CoV-2 Spike protein could stop virus in its tracks
A druggable pocket in the SARS-CoV-2 Spike protein that could be used to stop the virus from infecting human cells has been discovered by an international team of scientists led by the University of Bristol. The researchers say their findings, published (21/09/20) in the journal Science, are a potential 'game changer' in defeating the current pandemic and add that small molecule anti-viral drugs developed to target the pocket they discovered could help eliminate COVID-19. This research was supported by Oracle Cloud, BlueCryo, ARCHER and ACRC HPC resources and ACRC Research Software Engineers.
Scientists discover new non-sticky gels
Scientists from the University of Bristol and Université Paris-Saclay have discovered a new class of material – non-sticky gels.
Brunel's Network Project
Brunel’s Network is a project that aims to find, record, assess and weight the influence of all the individuals with whom Brunel collaborated. It is an analytical enquiry into communities of innovation, and how they functioned in the past, with Brunel at the epicentre.
Ordering of atoms in liquid gallium under pressure
Liquid metals and alloys have exceptional properties that make them suitable for electrical energy storage and generation applications.
Technology takes a step forwards in genetic research
New research brings combined computational and laboratory genome engineering a step closer following the design of smaller and smaller genomes, to advance genetic manipulation, using supercomputers by researchers at the University of Bristol.
2019 research news
Bristol mathematician cracks Diophantine puzzle
A mathematician from the University of Bristol has found a solution to part of a 64-year old mathematical problem – expressing the number 33 as the sum of three cubes, with a little help from BlueCrystal.
The stability of multitrophic communities under habitat loss
Habitat loss (HL) affects species and their interactions, ultimately altering community dynamics. Yet, a challenge for community ecology is to understand how communities with multiple interaction types—hybrid communities—respond to HL prior to species extinctions. To this end, we develop a model to investigate the response of hybrid terrestrial communities to two types of HL: random and contiguous.
The proportion of missing data should not be used to guide decisions on multiple imputation
Researchers are concerned whether multiple imputation (MI) or complete case analysis should be used when a large proportion of data are missing. We aimed to provide guidance for drawing conclusions from data with a large proportion of missingness.
Association of Genetic Risk for Rheumatoid Arthritis With Cognitive and Psychiatric Phenotypes
In this cohort study of 7977 children and adolescents, genetic liability for rheumatoid arthritis was associated with lower total, performance, and verbal IQ at age 8 years and symptoms of hyperactivity and inattention from ages 4 to 16 years. However, there was little evidence of association with other domains of psychopathology.
2018 Research News
Novel molecular designs unlock therapeutic potential of nicotine receptors
Using computational simulation methods developed with the aid of Bristol’s high performance computing facilities at ACRC, the researchers have unpacked how the modified chemical structure determines the biological profiles of these new cytisine variants. With further research, this work has the potential to produce a new smoking cessation therapy based on cytisine that, may lead to higher and more sustained quit rates.
Lung cancer drug resistance explained by computer simulations
Scientists from the Universities of Bristol and Parma, Italy, have used molecular simulations to understand resistance to osimertinib - an anticancer drug used to treat types of lung cancer.
News Largest-ever computer vision dataset from wearable cameras
This ground-breaking dataset will help machines to learn and advance first-person vision, enabling improvements in robotics, healthcare and augmented reality.
Industry partnership to create the world’s most accurate simulation of an aircraft jet engine
The project could lead to an aircraft jet engine simulation so accurate that it could enable new engine designs to be certified before they are physically built.
Key role for University of Bristol in new supercomputer collaboration
The University of Bristol is one of the key academic partners in a new collaboration announced by Hewlett Packard Enterprise (HPE) today [Monday 16 April] to accelerate the adoption of supercomputers in the UK.
ACRC enabled research showcase
3D pentagons and metallic glasses
Researchers from the University of Bristol have used state-of-the-art computer simulation to test a theory from the 1950s that when atoms organise themselves into 3D pentagons they suppress crystallisation.
Study shows how Ebola evolved during the outbreak in West Africa
University of Bristol researchers used Bristol’s Supercomputer, BlueCrystal, to analyse raw data on the Ebola virus in 179 patient blood samples to determine the precise genetic make-up of the virus in each case. This research informed public health policy in key areas such as diagnostic testing, vaccine deployment and experimental treatment options.
BlueCrystal used to shed light on the origins of the chloroplast
A new study, led by the University of Bristol, has shed new light on the origin, timing and habitat in which the chloroplast first evolved.
BlueCrystal used to simulate the climate of Game of Thrones
Scientists from the Universities of Bristol, Cardiff, and Southampton have used a Climate Model to simulate and explore the climate of the world of Game of Thrones.
BlueCrystal used to compare how bat and human cells respond to viruses
With the assistance of Bristol’s High Performance Computing team, the researchers used the University's supercomputer, Blue Crystal, to identify about six thousand genes and proteins made by the bats and examine how these genes and proteins changed in response to infection by the Hendra virus. A similar analysis was also done on the human cells.