A Lawrence Livermore team's dramatically improved first-principles molecular dynamics code that promises to enable new computer simulation applications was one of the finalists for the 2016 Gordon Bell Prize. The team presented its ground-breaking project at the 2016 supercomputing conference (SC16) held in Salt Lake City, Utah, November 12-18, 2016. "Modeling Dilute Solutions using First-Principles Molecular Dynamics: Computing more than a Million Atoms with over a Million Cores," was the title of the Livermore team's submission for the competition. Using a robust new algorithm, the Livermore team has developed an O(N)complexity solver for electronic structure problems with fully controllable numerical error.