When scientists pushed the world’s fastest supercomputer to its limits, they found those limits stretched beyond even their biggest expectations.
Plans to unite the capabilities of two cutting-edge technological facilities funded by the Department of Energy’s Office of Science promise to usher in a new era of dynamic structural biology.
Computational scientists at ORNL have published a study that questions a long-accepted factor in simulating the molecular dynamics of water: the 2 femtosecond time step.
New computational framework speeds discovery of fungal metabolites, key to plant health and used in drug therapies and for other uses.