150 citations · 1.2k across the 28 of their papers we have counts for
3 papers · 1 filter
Piecewise Interaction Picture Density Matrix Quantum Monte Carlo
William Van Benschoten, James J. Shepherd
The density matrix quantum Monte Carlo (DMQMC) set of methods stochastically samples the exact -body density matrix for interacting electrons at finite temperature. We introduce…
Effective Hamiltonians for the study of real metals using quantum chemical theories
Tina N. Mihm, Tobias Schäfer, Sai Kumar Ramadugu +2
Computationally efficient and accurate quantum mechanical approximations to solve the many-electron Schrödinger equation are at the heart of computational materials science. In tha…
The sign problem in density matrix quantum Monte Carlo
Hayley R. Petras, William Z. Van Benschoten, Sai Kumar Ramadugu +1
Density matrix quantum Monte Carlo (DMQMC) is a recently-developed method for stochastically sampling the -particle thermal density matrix to obtain exact-on-average energies fo…