Computational materials researcher efforts at Penn State are enabled by strong interconnections between the Institute for Computational and Data Sciences (ICDS) and the Materials Research Institute (MRI). Experimentalists are working with theorists to improve existing systems and develop the next generation of materials to meet societal needs. Researchers are using machine learning and artificial intelligence coupled with big data methods for materials development and discovery at every level. The convergence of materials with life sciences, energy, IT, and environmental needs are creating vast opportunities across multiple domains.

Penn State’s institute model has a proven track record of solving big problems for our government and industrial partners. Using the tools and human capital that we have available we are impacting the materials genome project. Life cycle analysis and optimization is creating more sustainable materials that meet societal needs.

Institute for Computational and Data Sciences

Institute for Computational and Data Sciences (ICDS) – Research Innovations with Scientists and Engineers (RISE) – was created to put domain level experts in place to assist with computational research. Their goal is to bring the power of high-performance computing to any research project, and they do so by:

  • Getting started with computational research
  • Identifying the best software or hardware for specific goals
  • Building, coding, and maintaining workflows
  • Optimizing code to save time and money
  • Setting up collaborative environments to share data and resources
  • Educating your team to sustain processes, workflows, and more<

Seed Funding program – MRI in cooperation with our Institute and college partners offers seed programs in the computation space to help catalyze and deliver research opportunities. This is done in cooperation with the RISE program that directs domain experts to solving complicated computation problems providing standing valuable resources to both experimentalists and theorists in materials.