• to develop, integrate, and disseminate in the PSI community and the scientific community at large the computational capabilities required to understand, predict, and characterize materials as studied at PSI research facilities with photons, neutrons, muons, and electrons.
• to provide support and access to these computational capabilities for the PSI science and user program.
• to curate the computational data for structures, properties, and spectra required to discover or design materials with novel or enhanced properties and performance.
• to perform own research at the forefront of computational materials simulations.
Materials simulations are a profoundly disruptive accelerator for scientific discovery and technological innovation. Our laboratory is dedicated to developing and deploying the capabilities that can empower the PSI community - and through an open-source open-access model communities world-wide - to exploit and leverage these capabilities to understand, predict, characterize, and design the properties of complex materials and devices.