Early Career - Hybrid Methods for Complex Particle Systems

Project Status: Active


This project is focused on the development of hybrid, hierarchical, and multilevel algorithms for the simulation of complex many‐particle systems. Such systems are key components in a variety of energy generation and energy storage devices. The proposed research is relevant to the computational study of gas‐dynamics, plasmas, multiphase flows, and charge transport in materials. The computational complexity of particle system simulations stems from the large numbers of unknowns and the large variations in the spatial and temporal scales over which the systems evolve. This multiscale, multiphysics research challenge will be addressed by hybrid methods that leverage simplified or reduced models to increase the efficiency of simulations so that computational resources can be effectively applied to resolve important fine scale features. This effort relies on the central role played by mean‐field models from kinetic theory, which can capture non‐equilibrium behavior and also approximate detailed information about particle correlations stochastically via collision operators. The first goal of this project is to connect the fluid and kinetic descriptions in a single efficient algorithm for attacking multiscale problems. The second goal is to improve the efficiency of molecular dynamics solvers using the mean-field solution of the kinetic model as a first approximation.

This research was selected for funding by the Office of Advanced Scientific Computing Research.


About the Early Career Program

The program, started in 2009, supports the development of individual research programs of outstanding scientists early in their careers and stimulates research careers in the disciplines supported by the DOE Office of Science.

Under the program, university-based researchers receive at least $150,000 per year to cover summer salary and research expenses. For researchers based at DOE national laboratories, where DOE typically covers full salary and expenses of laboratory employees, grants will be at least $500,000 per year to cover year-round salary plus research expenses. The research grants are planned for five years.

To be eligible for the DOE award, a researcher must be an untenured, tenure-track assistant or associate professor at a U.S. academic institution or a full-time employee at a DOE national laboratory, who received a Ph.D. within the past 10 years. Research topics are required to fall within one of the Department's Office of Science's six major program offices:  Advanced Scientific Computing Research (ASCR); Biological and Environmental Research (BER); Basic Energy Sciences (BES), Fusion Energy Sciences (FES); High Energy Physics (HEP), and Nuclear Physics (NP).

Visit the Early Career Research Program site