Application Development

Chemistry and Materials Applications

Application Area Technical Lead: Jack Deslippe, Lawrence Berkeley National Laboratory and the National Energy Scientific Computing Center

Chemistry and Materials Applications focus on simulation capabilities that attempt to precisely describe the underlying properties of matter needed to optimize and control the design of new materials and energy technologies.

This activity encompasses quantum chromodynamics, first-principles materials simulation, molecular dynamics, and materials design and optimization. These applications require the use of sophisticated models and algorithms to solve complex physics equations. The specific projects involved are listed below.