Exascale computing has been a dream for ages and is close to becoming a reality that will impact how molecular simulations are being performed, as well as the quantity and quality of the information derived for them. We review how the biomolecular simulations field is anticipating these new architectures, making emphasis on recent work from groups in the BioExcel Center of Excellence for High Performance Computing. We exemplified the power of these simulation strategies with the work done by the HPC simulation community to fight Covid-19 pandemics.
Authors
- dr inż. Miłosz Wieczór link open in new tab ,
- Vito Genna,
- Juan Aranda,
- Rosa M. Badia,
- Josep Lluís Gelpí,
- Vytautas Gapsys,
- Bert L. de Groot,
- Erik Lindahl,
- Martí Municoy,
- Adam Hospital,
- Modesto Orozco
Additional information
- DOI
- Digital Object Identifier link open in new tab 10.1002/wcms.1622
- Category
- Publikacja w czasopiśmie
- Type
- artykuły w czasopismach
- Language
- angielski
- Publication year
- 2023
