Fighting Diseases with High-resolution GPU-accelerated Molecular Dynamics Simulations: Tinker-HP Goes to the Cloud
, Distinguished Professor, Sorbonne Université and Qubit Pharmaceuticals
, Research Engineer, Sorbonne Université and Qubit Pharmaceuticals
Accelerating molecular dynamics simulations is an intense field of research bridging high performance computing, computational chemistry, and life sciences. The rise of multi-GPU systems allows us to perform long timescale simulations either on supercomputers or in the cloud while enabling increased simulation accuracy, thanks to scalable high-resolution models.