Centers for Chemical Innovation, Phase I: Quantum Information and Computation for Chemistry

Purdue University, West Lafayette IN

Investigators

Abstract

The goal of this Phase I CCI is to advance the understanding of chemical processes using theoretical concepts and frameworks from quantum information. The goal will be enabled by creating a set of tools for mapping quantum chemistry calculations onto quantum algorithms and calculations suitable for current and near-term quantum information processors, but extendable to future devices. Specifically, the CCI will undertake research on new methods to suppress errors due to faulty controls and noisy environments to overcome challenges of experimental quantum simulation; and to create a toolbox of decoupling pulses and optimized error correction for integration with quantum algorithms for chemical systems. These quantum information techniques will be used to gain novel viewpoints on diverse chemical processes from photosynthesis to bond breaking. The Center will bring together experts in theoretical chemistry and quantum information processing to work in close collaboration to develop quantum algorithms and research structure that can respond to experimental realization of quantum computers and the quantum information revolution. Even if quantum computers are never built, successful outcomes of this CCI will advance the understanding of the use of classical computers for quantum chemistry, and will help in understanding chemical phenomena in the light of quantum information theory. The Center for Quantum Information and Computation for Chemistry will also have broad impact on the scientific community and the general public through its dissemination and outreach activities. Software tools will be made available to the scientific community. The outreach plan includes public lectures and new courses, synergistic to the Center's activities, for K-12 education and distance learning. Special efforts will be undertaken by the Center's senior investigators to attract under-represented groups to the center's opportunities. The Centers for Chemical Innovation (CCI) Program supports research centers that can address major, long-term fundamental chemical research challenges that have a high probability of both producing transformative research and leading to innovation. These Centers will attract broad scientific and public interest by sharing the results of their innovative approach to this challenging question.