Understanding Our World through GROMACS (Part I of II)

In Part I of two episodes about GROMACS, one of the world’s most widely used open source molecular dynamics (MD) applications, Erik Lindahl, Biophysics Professor at Stockholm University & KTH Royal Institute of Technology, and Roland Schulz, Parallel Software Engineer at Intel, unpack the mysteries of MD. As Erik explains, MD helps us understand “everything […]

In Part I of two episodes about GROMACS, one of the world’s most widely used open source molecular dynamics (MD) applications, Erik Lindahl, Biophysics Professor at Stockholm University & KTH Royal Institute of Technology, and Roland Schulz, Parallel Software Engineer at Intel, unpack the mysteries of MD. As Erik explains, MD helps us understand “everything from the proteins inside our bodies to the largest galaxies in the world.” Erik and Roland discuss MD simulation using GROMACS, the immense benefits and challenges it brings, its role in the fight against our global pandemic, and some of the most promising developments. They also explore the significance of the Folding@home project as it relates to the world’s supercomputers and exascale computing.

Guests:

Erik Lindahl, Biophysics Professor, Stockholm University & KTH Royal Institute of Technology

Roland Schulz, Parallel Software Engineer, Intel

To learn more:

gromacs.org

gitlab.com/gromacs/gromacs

twitter.com/GMX_TWEET

foldingathome.org/home

github.com/topics/sycl

oneapi.com

Read/Download the transcript.