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Presented By: Student AIM Seminar - Department of Mathematics

Student AIM Seminar: A Mathematical Introduction to Auxiliary-field Quantum Monte Carlo

James Larsen

UMich SIAM Student Chapter Logo UMich SIAM Student Chapter Logo
UMich SIAM Student Chapter Logo
Auxiliary-field quantum Monte Carlo with the phaseless constraint (ph-AFQMC) is one of the leading candidates for ground state energy calculations for materials and molecules of moderate scale. This method corresponds with efficiently simulating an imaginary time evolution on a manifold of single Slater determinants. In this chalk talk, I will build up the theory of ph-AFQMC assuming no background in quantum mechanics or Monte Carlo methods. I will explain how it works, why it is efficient, and demonstrate why the phaseless constraint is necessary. If time permits, I will also briefly show how to download and use the SAFIRE library (safire.flatironinstitute.org) for doing AFQMC calculations on your own.
UMich SIAM Student Chapter Logo UMich SIAM Student Chapter Logo
UMich SIAM Student Chapter Logo

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