Modelling in the best of all possible worlds: Exploiting the advantages of Density Functional Theory and correlated wavefunctions in an efficient 1-electron Reduced Density Matrix approach based on th

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The solutions to many of the critical issues facing our society involve chemistry. For example, alternative fuels, green energy, prescription drugs and their effects, high temperature superconductors, and recyclable materials are all active areas of chemical research. The physical laws which govern all of chemistry have been known for over 80 years, but unfortunately, they lead to mathematical equations that can only be solved approximately. Most approximate methods face a trade-off between accuracy and cost and, unfortunately, obtaining the correct result often requires extremely accurate calculations. Obtaining such high accuracy is excruciatingly time-consuming. I am developing an entirely new approach that achieves sufficiently high accuracy with much less computational cost than existing methods. My approach works by combining the advantages of several well-understood approaches, while avoiding their respective pitfalls. My goal is to provide chemists a computational tool that they can use to reduce the inevitable trial-and-error of experiments. By increasing the effectiveness and efficiency of chemists everywhere, my research will lead to new innovations that benefit society.