Hyperdynamics made simple: Accelerated molecular dynamics with the Bond-Boost method

Hyperdynamics methods have significant potential for accelerating simulations of dynamical evolution in solids and solid-like materials, which is mediated by rare events. In this paper, we illustrate the main concepts associated with understanding hyperdynamics through a series of one-dimensional examples. These examples, which are mostly based on the Bond-Boost method, indicate the rigor of hyperdyamics methods and their potential to resolve key bottle-necks in simulating long-time evolution of materials. A significant advantage of hyperdynamics methods is their capability to resolve the small-barrier problem, which is ubiquitous in materials simulation. We present a simple boost potential with benefits for solving the small-barrier problem and discuss future challenges in hyperdynamics simulations.