GPU-enabled Multiscale Materials Modeling and Machine-learning
The GPU-enabled Multiscale Materials Modeling and Machine-learning (GM4) cluster is a high-performance GPU cluster tailored for fast and efficient simulations, including molecular dynamics (MD) simulations, hybrid particle-continuum simulations, mesoscale simulations and continuum simulations. This state-of-the-art research instrument was awarded to the University of Chicago researchers by the National Science Foundation (NSF) under the Major Research Instrumentation (MRI) program. GM4 provides a unique computational resource that enables new collaborative efforts in algorithm and software development at the interface between molecular engineering, physics, chemistry, biology, computer science and materials science.
GM4 will operate as a facility to serve four interrelated objectives, namely (i) support the local research community and their collaborators to achieve significant scientific advances on an array of collaborative research projects touching on proteins, membranes, cytoskeleton, fluids, colloids, nanoparticles, polymers, and mechanical metamaterials; (ii) create a vibrant interdisciplinary intellectual research community of theoreticians and experimentalists around the facility, and promote the creative development of novel and more effective advanced sampling algorithms, centered on the creation of a unified set of software tools supporting state-of-the-art methodologies; (iii) organize workshops to train undergraduate, graduate, and postgraduate students from a wide array of disciplines to disseminate knowledge about the utilization of distributed computational environments; (iv) contribute to diversifying the scientific workforce by organizing training and educational programs for undergraduate students from institutions serving under-represented minorities.