Success Stories

 
Snapshots from the classical molecular dynamics simulation show several lead ions bound to hemicellulose along the unbinding path — an energetically strongly unfavourable process.
Project Access Success Stories

Exploring a new measure against heavy metal pollution: Simulations show how bio-waste materials can capture heavy metals in water

Organic waste such as fruit peels or spent coffee grounds can capture toxic heavy metal pollutants in water — a capability which could help to clean contaminated drinking water, especially in developing countries. Now scientists from France and Switzerland performed molecular simulations using PRACE supercomputing resources to gain insight into the mechanisms at play, and to lay the groundwork for a systematic employment of these important processes.

Read More »
Wake flow of a hydrokinetic turbine with helical vortices arising from the tips of the rotating turbine blades
Project Access Success Stories

Energy from the Oceans: simulations help to design efficient tidal turbine farms

Ocean tides deliver a reliable source of renewable energy that can be harvested with hydrokinetic turbine farms. It is, however, not fully clear yet how a turbine affects the efficiency of another turbine placed in its wake. To better understand this, scientists at the Institute of Marine Engineering in Rome recently performed Large-Eddy Simulations using PRACE resources to analyse a turbine’s wake flow. They not only found valuable insights for efficient hydrokinetic farms, but they also created a basis for more accurate modelling of whole turbine farms.

Read More »
Robothand holds Euro-coin
SHAPE Success Stories

A scalable HPC platform for AI algorithms in finance

Big data and artificial intelligence are the revolutionising the world of FinTech. Italian company Axyon AI have developed a proprietary platform that uses machine learning techniques to deliver high-performing investment strategies, and a recent SHAPE project has helped them develop this even further by harnessing the power of HPC clusters.

Read More »
Visualization of COVID-19 droplets
Success Stories

Evaluating the lifetime of expiratory COVID droplets

The COVID-DROPLETS project, led by Dr Gaetano Sardina from Chalmers University of Technology, Sweden, in collaboration with Dr Francesco Picano from University of Padua in Italy, is investigating the lifetime of expiratory droplets released by individuals infected with SARS-CoV-2 (the coronavirus strain causing COVID-19). Surprisingly, the current recommendations to hinder the transmission of respiratory infectious diseases are based on a simple model developed 90 years ago.

Read More »
The predicted three-dimensional structure of stem-loop 5a in the 5’ end untranslated region of SARS-CoV-2 RNA genome
Success Stories

Predicting structural elements in the SARS-CoV-2 RNA genome

The non-coding regions of SARS-CoV-2 RNA play a decisive role in viral replication. Kresten Lindorff-Larsen and Sandro Bottaro of the University of Copenhagen have been using molecular dynamics simulations to predict the structure and dynamics of these regions in the hope that this will enable the development of drugs that target them.

Read More »
Airborne droplet dispersion emitted by a person breathing during several minutes in a ventilated office.
Success Stories

Investigating viral dispersion in enclosed spaces

The pandemic has caused us to re-examine many aspects of our lives this year. The CFDforCOVID project, led by Florent Duchaine of CERFACS, has been using fluid dynamics tools usually reserved for aeronautical engines to look at how the virus can spread in enclosed environments such as buildings and vehicles, with the aim of helping to turn them into safer spaces that reduce viral transmission.

Read More »
SEIR network model
Success Stories

Network modelling of SARS-Cov-2 transmission

Modelling how infectious diseases spread is a complex process that involves not only understanding the virus itself, but also the behaviour of the people who are transmitting it. Rafael Villanueva of the Polytechnic University of Valencia has been leading a project that aims to ramp up the capabilities of his network models to provide a deeper understanding of the COVID-19 pandemic and eventually provide advice on the best vaccination strategies for the near future.

Read More »
Overview of drug design process
Success Stories

Using molecular dynamics to find drugs and vaccines for COVID-19

Molecular dynamics simulations allow us to see into the hidden atomic-scale world that makes up everything we see. Understanding SARS-CoV-2 at this level is helping Vangelis Daskalakis of the Cyprus University of Technology to identify weaknesses in the virus that can be exploited and targeted through drugs and vaccines.

Read More »
People provide information about their health using technology
Success Stories

Model aggregating for epidemics

Catalan-based company Mitiga Solutions uses supercomputers to provide early warnings to governments and business about natural hazards. Its recent foray into providing such information about infectious diseases has come at a time when the world needs it most, and it is now using PRACE resources to refine its methods for use on a global scale.

Read More »
SARS-CoV-2 Main Protease
Success Stories

Analysing peptides for antiviral and anti-inflammatory properties

Irish company Nuritas has carved itself a niche in the world of drug discovery with its AI platform that analyses the therapeutic potential of thousands of naturally-occurring peptide sequences. With the onset of the COVID-19 pandemic, they are now putting all of their efforts into discovering peptides that can be used to mitigate the disease’s progression.

Read More »

Categories

 

Share This

Share on twitter
Share on linkedin
Share on facebook
Share on email

Contact

For all questions about PRACE Communications, promotional and press materials, social media, and publications, email: communication@prace-ri.eu or phone us on +32 2 613 09 28.

Latest Tweets