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

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

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.

PRACE Summer of HPC 2020 Award Ceremony

Serge Bogaerts, PRACE Managing Director, was delighted to present the PRACE Summer of HPC Awards 2020 to Antonios-Kyrillos Chatzimichail, Igor Abramov, and Josip Bobinac during an online award ceremony held on Wednesday 30 June 2021 at the virtual PRACE booth at ISC 2021. The three students received the awards for their exceptional performance and outreach … Read more