Accurate, Traceable, and Verifiable Time Synchronization for World Financial Markets.

The National Institute of Standards and Technology (NIST), through a collaboration with Perseus, a global provider of telecommunication services, is providing accurate, traceable, and verifiable time synchronization to stock exchanges in the United States, Europe, and Asia. The paper describes why accurate time is necessary for fair and equitable financial markets and summarizes current and proposed future synchronization requirements in the financial sector. We discuss reference time sources and provide a technical overview of how NIST transfers time to data center hosted stock exchange.

Preserving the Boltzmann ensemble in replica-exchange molecular dynamics.

We consider the convergence behavior of replica-exchange molecular dynamics (REMD) [Sugita and Okamoto, Chem. Phys. Lett.

Statistical prediction and molecular dynamics simulation.

We describe a statistical approach to the validation and improvement of molecular dynamics simulations of macromolecules. We emphasize the use of molecular dynamics simulations to calculate thermodynamic quantities that may be compared to experimental measurements, and the use of a common set of energetic parameters across multiple distinct molecules. We briefly review relevant results from the theory of stochastic processes and discuss the monitoring of convergence to equilibrium, the obtaining of confidence intervals for summary statistics corresponding to measured quantities, and an approach to validation and improvement of simulations based on out-of-sample prediction.