Thomas Cheatham, professor of Medicinal Chemistry and the director of research computing at University of Utah shares how they’re using the GPU-accelerated Blue Waters supercomputer and NVLink to compute the interactions of atoms that can lead to dru
Gil Speyer, Senior Postdoctoral Fellow at the Translational Genomics Research Institute (TGen) shares how NVIDIA technology is accelerating the computer processing of transcriptomes from thousands of cells gleaned from patient tumor samples.
Janus Juul Eriksen, a Ph.D. fellow at Aarhus University in Denmark, shares how he is using OpenACC to optimize and accelerate the quantum chemistry code LSDalton on the Titan Supercomputer at Oak Ridge National Laboratory.
Increasingly, computational chemistry researchers use GPUs to push the boundaries of discovery. This motivated Christopher Cooper, an Instructor at Universidad Técnica Federico Santa María in Chile, to move to a Python-based software stack.