New Algorithm for Real-Time Simulations in Materials Research

Researchers at LBNL have have developed a new algorithm that opens the door for real-time simulations in atomic-level materials research. "By eliminating higher energy terms, you significantly reduce the dimension of your problem, and you can also use a bigger time step," explained Wang, describing the key to the algorithm's success: Solving the equations in bigger time steps reduces the computational cost and increases the speed of the simulations.