Accelerated molecular mechanical and solvation energetics on multicore CPUs and manycore GPUs.
Deukhyun ChaQin ZhangJesmin Jahan TithiAlexander RandRezaul Alam ChowdhuryChandrajit L. BajajPublished in: BCB (2015)
Keyphrases
- graphics processing units
- general purpose
- parallel computing
- gpu implementation
- graphics hardware
- high performance computing
- computing systems
- parallel programming
- parallel processing
- molecular dynamics
- parallel computation
- highly parallel
- massively parallel
- parallel implementation
- efficient implementation
- real time
- floating point
- processing units
- commodity hardware
- parallel architectures
- mechanical design
- finite element model
- high end
- dna computing
- graphics processors
- van der waals
- computer systems
- neural network
- drug discovery
- field programmable gate array
- data structure
- three dimensional
- molecular structure
- molecular structures