Understanding Our World through GROMACS

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By

Erik Lindahl

Biophysics professor, Stockholm University & KTH Royal Institute of Technology

 Roland Schulz

Parallel software engineer, Intel

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About GROMACS, one of the world’s most widely used open-source molecular dynamics (MD) applications, Erik Lindahl and Roland Schulz 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.

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