Biophysics at the Dawn of Exascale Computers

Molecular biophysics over the next decade will be dominated by three technologies - electron microscopy and tomography, X-ray lasers, and machine learning. Taking us a step closer towards capturing bimolecular assemblies in action, these technologies together with molecular simulations are delivering not only static structures, but movies of cellular functions. One common denominator to this remarkable progress is the advent graphical processor unit (GPU)-intensive compute resources over the past decade, and very recent availability of Tensor Processing Units (TPUs). Already leveraging parallel capabilities, areas of diffraction data and single-particle image processing, hybrid-modeling, molecular dynamics and free-energy simulations, and drug design and discovery are frontrunners in leveraging the prowess of exascale computing.

Event Organizers

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• Rommie Amaro, University of California San Diego, USA
• Christope Chipot, CNRS, France
• Rosana Collepardo, University of Cambridge, United Kingdom
• Petra Fromme, Arizona State University, USA
• Raimund Fromme, Arizona State University, USA
• Daisuke Kihara, Purdue University, USA
• Arwen Pearson, University of Hamburg, Germany
• Alberto Perez, University of Florida, USA
• Abhishek Singharoy, Arizona State University USA
• Gregory A. Voth, University of Chicago, USA