Research

Purdue PChem has both a long history and a growing community of quantum information research, from developing new quantum-computing algorithms to exploring new quantum materials and building new experimental platforms for quantum state manipulation.

Electronic structure and quantum chemistry efforts at Purdue span the full range fromfundamental research on DFT functionals to full-protein quantum mechanics/molecular mechanics (QM/MM) simulations and stochastic methods for scalable DFT.

Ultrafast microscopy and ultrafast XUV/X-ray spectroscopy research at Purdue explores the fundamental properties of excitonic materials and the light-matter strong coupling regime.

Photosynthesis research at Purdue is driven by a potent combination of experimental mutagenesis work, ultrafast spectroscopy, and first-principles quantum and molecular dynamics.

Data science research in Purude PChem range from immunology and drug discovery to enhanced image sampling for ultrafast microscopy and data-driven molecular dynamics simulations.