Assessing the Performance of Finite Temperature AFQMC in Transition Metals

Description

Abstract:
Usage of effective core potentials (ECPs) were studied on manganese (Mn) atoms as a starting point in extending the Auxiliary Field Quantum Monte Carlo (AFQMC) method. Eventually, the method will be expanded into describing phase transitions in transition metals.

Citation

MinSik Cho, "Assessing the Performance of Finite Temperature AFQMC in Transition Metals" (2020). Summer Research Symposium. Brown Digital Repository. Brown University Library. https://repository.library.brown.edu/studio/item/bdr:1138455/

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    Each year, Brown University showcases the research of its undergraduates at the Summer Research Symposium. More than half of the student-researchers are UTRA recipients, while others receive funding from a variety of Brown-administered and national programs and fellowships and go …

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