Data catalog record: Source code for "Ab initio finite temperature auxiliary field quantum Monte Carlo"

Full Metadata

Overview

Title
Data catalog record: Source code for "Ab initio finite temperature auxiliary field quantum Monte Carlo"
Contributors
Liu, Yuan (Creator)
Doi
10.7301/Z0VX0F1Z
Date Created
2018-05-01
Abstract
We developed this code to effectively simulate any ab initio quantum system at finite temperature using auxiliary field quantum Monte Carlo, including solids, molecules, and multi-band Hubbard model, etc. The finite temperature observables are evaluated in grand canonical ensemble. This data catalog record is for files deposited and retained in the Brown Digital Repository for preservation purposes; for inquiries regarding access please contact Yuan Liu (email: yuan_liu@brown.edu) in the Department of Chemistry, Brown University.
Keywords
finite temperature
ab initio
auxiliary field quantum monte carlo
electronic structure

Citation

Liu, Yuan, "Data catalog record: Source code for 'Ab initio finite temperature auxiliary field quantum Monte Carlo'" (2018). Data for Publications. Brown Digital Repository. Brown University Library. https://doi.org/10.7301/Z0VX0F1Z

Relations

Collection:

  • Data for Publications Thumbnail

    This digital archive contains the files of data sets, metadata and documentation, and code as well as other types of born-digital supplementary materials and research products associated with scholarly publications created by researchers at Brown University. Increasingly, academic publishers and ...

    View