Computational Multiscale
The Computational Multiscale Department performs research and development in physics-based materials modeling and high-performance computing. We combine expertise across multiple disciplines to solve science and engineering problems in support of the DOE mission. Our team brings together experts in density functional theory, molecular dynamics, direct simulation Monte Carlo, microstructure modeling, continuum mechanics, equations of state, and peridynamics. We lead a number of software development efforts, including the LAMMPS molecular dynamics code, and strive to advance the state of the art in materials modeling through a broad range of collaborations across the laboratories.