Research in the Risko laboratory is inspired by the opportunities offered by complex synthetic materials and the desire to discover the fundamental connections among the chemical and physical phenomena that ultimately determine their performance. Too often, macro-scale experiments cannot provide the physicochemical knowledge required to truly understand why materials work, or fail, in particular applications as the intrinsic phenomena that determine performance are multiscale, beginning at the atomic level. Such limited insight, in turn, leads to materials design misconceptions that permeate the chemical literature.

With a focus on materials envisioned for semiconductors and power generation and storage, research in the Risko laboratory probes questions that connect molecular, polymer, and nanostructure composition and structure, materials creation, and molecular and material electronic, redox, optical, and mechanical characteristics. We develop our theoretical materials chemistry models and computational approaches by bridging quantum chemistry, equilibrium and non-equilibrium molecular dynamics (MD), condensed matter and device physics, data science, and materials and polymer science. This blend of expertise allows us to discover and exploit multidisciplinary connections to enable new understanding that can be transitioned across materials types. Further, we have grown an extensive, international group of collaborators whose expertise spans materials synthesis, processing, and characterization so that the understanding that we gain has decisive and immediate impact. Our perspective, ultimately, allows us to establish the knowledge required to facilitate the creation of in silico materials design paradigms that will spearhead transitions away from costly, time-consuming Edisonian approaches to materials development.
Research Interests:
Theoretical and Computational Chemistry
Materials Chemistry
Organic Electronics
Energy Storage
Solar Energy