Providing scientific and technical leadership in the physics and chemistry of materials
We develop new science and technologies needed for national security by understanding how basic forces operating at the atomic level manifest themselves in the properties of matter at the macroscopic level.
The Physics and Chemistry of Materials group performs simulations of materials and chemical processes across multiple time- and length-scales, from the atomic to the continuum. Our research areas include studies of atoms, molecules, solids (including metals, semiconductors, and high explosives), liquids, gases, and plasmas using a wide range of techniques ranging from electronic structure and molecular dynamics methods to continuum models and data science algorithms.
Our focus is on both development and application of theoretical capabilities to address DOE priorities in nuclear stockpile, nuclear energy, and other reliable and secure energy technologies