We are creating an integrated ecosystem of methods, algorithms, software, validation tools and data dissemination

We develop tools to simulate realistic heterogeneous materials, and to understand and control the role of interfaces, defects, and building blocks

The discovery and design of materials and emergent behaviors require the ability to compute multiple properties and to carry out simulations at different length and time scales, which in turn require:

  • development of advanced methods and algorithms
  • development of software for high-performance and hybrid architectures
  • coupling of codes
  • integration with experiment
  • dissemination of verification and validation procedures and of data