molecular dynamics tagged posts:

Porting GROMACS Across Heterogeneous Architectures

Porting GROMACS Across Heterogeneous Architectures

In this second episode about GROMACS, one of the world’s most widely used open source molecular dynamics (MD) applications, we explore the quest to simplify portable, performant programming with Erik Lindahl, Biophysics Professor at Stockholm University & KTH Royal Institute [See the full post…]

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Understanding Our World through GROMACS (Part I of II)

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 [See the full post…]

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Supercomputers Aid in Drug Discovery