<mods:mods xmlns:mods="http://www.loc.gov/mods/v3" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-4.xsd">
  <mods:titleInfo>
    <mods:title>Data catalog record: Source code for "Ab initio finite temperature auxiliary field quantum Monte Carlo"</mods:title>
  </mods:titleInfo>
  <mods: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.</mods:abstract>
  <mods:name>
    <mods:namePart>Liu, Yuan</mods:namePart>
    <mods:role>
      <mods:roleTerm authority="marcrelator" authorityURI="http://id.loc.gov/vocabulary/relators" valueURI="http://id.loc.gov/vocabulary/relators/cre">Creator</mods:roleTerm>
    </mods:role>
  </mods:name>
  <mods:originInfo>
    <mods:dateCreated>2018-05-01</mods:dateCreated>
  </mods:originInfo>
  <mods:subject authority="local">
    <mods:topic>finite temperature</mods:topic>
  </mods:subject>
  <mods:subject authority="local">
    <mods:topic>ab initio</mods:topic>
  </mods:subject>
  <mods:subject authority="local">
    <mods:topic>auxiliary field quantum monte carlo</mods:topic>
  </mods:subject>
  <mods:subject authority="local">
    <mods:topic>electronic structure</mods:topic>
  </mods:subject>
  <mods:typeOfResource>software, multimedia</mods:typeOfResource>
  <mods:genre>Source Code</mods:genre>
  <mods:identifier type="doi">10.7301/Z0VX0F1Z</mods:identifier>
</mods:mods>