244 citations · 890 across the 16 of their papers we have counts for
6 papers · 1 filter
Finite temperature density matrix embedding theory
Chong Sun, Ushnish Ray, Zhi-Hao Cui +3
We describe a formulation of the density matrix embedding theory at finite temperature. We present a generalization of the ground-state bath orbital construction that embeds a mean…
Ground-state properties of the hydrogen chain: insulator-to-metal transition, dimerization, and magnetic phases
Mario Motta, Claudio Genovese, Fengjie Ma +14
Accurate and predictive computations of the quantum-mechanical behavior of many interacting electrons in realistic atomic environments are critical for the theoretical design of ma…
Direct comparison of many-body methods for realistic electronic Hamiltonians
Kiel T. Williams, Yuan Yao, Jia Li +22
A large collaboration carefully benchmarks 20 first principles many-body electronic structure methods on a test set of 7 transition metal atoms, and their ions and monoxides. Good…
Constructing Auxiliary Dynamics for Nonequilibrium Stationary States by Variance Minimization
Ushnish Ray, Garnet Kin-Lic Chan
We present a strategy to construct guiding distribution functions (GDFs) based on variance minimization. Auxiliary dynamics via GDFs mitigates the exponential growth of variance as…
Heat current fluctuations and anomalous transport in low dimensional carbon lattices
Ushnish Ray, David T. Limmer
Molecular dynamics simulations and nonequilibrium importance sampling are used to study the heat transport of low dimensional carbon lattices. For both carbon nanotubes and graphen…
Dynamical phase behavior of the single- and multi-lane asymmetric simple exclusion process via matrix product states
Phillip Helms, Ushnish Ray, Garnet Kin-Lic Chan
We analyze the dynamical phases of the current-biased 1D and multi-lane open asymmetric simple exclusion processes (ASEP), using matrix product states and the density matrix renorm…