This project is dedicated to the automation of quantum thermodynamics calculations for strongly coupled non-relativistic matter, for applications to nuclear, atomic, and condensed matter physics. The main objective is to furnish predictions of thermodynamic observables (equations of state, response, hydrodynamics) based on the specification of fermionic and bosonic degrees of freedom and their interactions.
Working in the grand-canonical ensemble, we use a discretization of imaginary time and a Trotter-Suzuki factorization of the transfer matrix to separate kinetic energy from interaction contributions. Automated algebra is then used to derive a mathematical expression for the pressure as a quantum cumulant expansion using a generating functional. The expressions for the cumulants take the form of sums and products of multidimensional integrals, which are evaluated using numerical methods.
This project (QTCE) is directly related to two sister projects: QVEE and CVEE.
This material is based upon work supported by the National Science Foundation under Grant No. PHY2013078.