Taming quantum noise for efficient low temperature simulations of open quantum systems
The hierarchical equations of motion (HEOM), derived from the exact Feynman-Vernon path
integral, is one of the most powerful numerical methods to simulate the dynamics of open …
integral, is one of the most powerful numerical methods to simulate the dynamics of open …
Efficient low-temperature simulations for fermionic reservoirs with the hierarchical equations of motion method: Application to the Anderson impurity model
The hierarchical equations of motion (HEOM) approach is an accurate method to simulate
open system quantum dynamics, which allows for systematic convergence to numerically …
open system quantum dynamics, which allows for systematic convergence to numerically …
Electronic Free Energy Surface of the Nitrogen Dimer Using First-Principles Finite Temperature Electronic Structure Methods
WZ Van Benschoten, HR Petras… - The Journal of Physical …, 2023 - ACS Publications
We use full configuration interaction and density matrix quantum Monte Carlo methods to
calculate the electronic free energy surface of the nitrogen dimer within the free-energy Born …
calculate the electronic free energy surface of the nitrogen dimer within the free-energy Born …
Electronic specific heat capacities and entropies from density matrix quantum Monte Carlo using Gaussian process regression to find gradients of noisy data
WZ Van Benschoten, L Weiler, GJ Smith… - The Journal of …, 2023 - pubs.aip.org
We present a machine learning approach to calculating electronic specific heat capacities
for a variety of benchmark molecular systems. Our models are based on data from density …
for a variety of benchmark molecular systems. Our models are based on data from density …
[HTML][HTML] Piecewise interaction picture density matrix quantum Monte Carlo
WZ Van Benschoten, JJ Shepherd - The Journal of chemical physics, 2022 - pubs.aip.org
The density matrix quantum Monte Carlo (DMQMC) set of methods stochastically samples
the exact N-body density matrix for interacting electrons at finite temperature. We introduce a …
the exact N-body density matrix for interacting electrons at finite temperature. We introduce a …