GROMACS

Fast Fourier Transforms (FFTs) are widely used across scientific computing, from molecular dynamics and signal processing to computational fluid dynamics (CFD),...

As the demand for high-performance computing (HPC) and AI applications grows, so does the importance of energy efficiency. NVIDIA Principal Developer Technology...

GPUs continue to get faster with each new generation, and it is often the case that each activity on the GPU (such as a kernel or memory copy) completes very...

GROMACS, a scientific software package widely used for simulating biomolecular systems, plays a crucial role in comprehending important biological processes...

GROMACS, a simulation package for biomolecular systems, is one of the most highly used scientific software applications worldwide, and a key tool in...

GROMACS—one of the most widely used HPC applications— has received a major upgrade with the release of GROMACS 2020. The new version includes exciting new...