Applications of High Performance Computing: Born-Oppenheimer Molecular Dynamics of Complex Formation in Aqueous Solutions.
Maria G. KhrenovaDmitry P. KapustaIlya V. BabchukYulia I. MeteleshkoPublished in: Supercomput. Front. Innov. (2018)
Keyphrases
- high performance computing
- molecular dynamics
- scientific computing
- massively parallel
- parallel computing
- computational science
- computing resources
- energy efficiency
- computing systems
- scientific data
- fault tolerance
- protein folding
- computing environments
- fine grained
- databases
- database
- grid computing
- data center
- energy consumption
- formal methods
- query processing
- information systems
- artificial intelligence