Related papers: Accessing thermodynamics from dynamical cluster-em…
Evaluation of global thermodynamic properties, such as the entropy or the free energy, of complex systems featuring a high degree of frustration or disorder is often desirable. Nevertheless, they cannot be measured directly in standard…
In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the…
Clustering is a fundamental task for analyzing unlabeled data based solely on its underlying distribution. Spectral clustering is a clustering method that represents a dataset as a graph and uses the relationships between data points.…
We extend the variational cluster approach to deal with strongly correlated lattice bosons in the superfluid phase. To this end, we reformulate the approach within a pseudoparticle formalism, whereby cluster excitations are described by…
Continuous-variable cluster states offer a potentially promising method of implementing a quantum computer. This paper extends and further refines theoretical foundations and protocols for experimental implementation. We give a…
In this paper, we discuss extending the sub-system embedding sub-algebra coupled cluster (SESCC) formalism and the double unitary coupled cluster (DUCC) Ansatz to the time domain. An important part of the analysis is associated with proving…
We provide microscopic diagrammatic derivations of the the Molecular Coherent Potential Approximation (MCA) and Dynamical Cluster Approximation (DCA) and show that both are Phi-derivable. The MCA (DCA) maps the lattice onto a…
Recent results on QCD thermodynamics are presented. The nature of the T>0 transition is determined, which turns out to be an analytic cross-over. The absolute scale for this transition is calculated. The temperature dependent static…
Ab initio quantum Monte Carlo (QMC) is a stochastic approach for solving the many-body Schr\"odinger equation without resorting to one-body approximations. QMC algorithms are readily parallelizable via ensembles of $N_w$ walkers, making…
We illustrate how the systematic inclusion of multi-spin correlations of the quantum spin-lattice systems can be efficiently implemented within the framework of the coupled-cluster method by examining the ground-state properties of both the…
We present a quantum electronic embedding method derived from the exact factorization approach to calculate static properties of a many-electron system. The method is exact in principle but the practical power lies in utilizing input from a…
In this work we investigate the ground state and the dissipative quantum dynamics of interacting charged particles in an external potential at finite temperature. The recently devised time-dependent quantum Monte Carlo (TDQMC) method allows…
The Kinetic Monte Carlo (KMC) method has become an important tool for examination of phenomena like surface diffusion and thin film growth because of its ability to carry out simulations for time scales that are relevant to experiments. But…
\textit{Ab initio} quantum Monte Carlo (QMC) methods in principle allow for the calculation of exact properties of correlated many-electron systems, but are in general limited to the simulation of a finite number of electrons $N$ in…
I introduce several simplified schemes for the approximation of the self-consistency condition of the dynamical cluster approximation. The applicability of the schemes is tested numerically using the fluctuation-exchange approximation as a…
An acceleration of continuous time quantum Monte Carlo (CTQMC) methods is a potentially interesting branch of work as they are matchless as impurity solvers of a density functional theory in combination with a dynamical mean field theory…
For $\Delta \ge 5$ and $q$ large as a function of $\Delta$, we give a detailed picture of the phase transition of the random cluster model on random $\Delta$-regular graphs. In particular, we determine the limiting distribution of the…
Finding the ground state of Ising spin glasses is notoriously difficult due to disorder and frustration. Often, this challenge is framed as a combinatorial optimization problem, for which a common strategy employs simulated annealing, a…
For theoretical description of pseudospin systems with essential short-range and long-range interactions we use the method based on calculations of the free energy functional with taking into account the short-range interactions within the…
We present a novel Ensemble Monte Carlo Growth method to sample the equilibrium thermodynamic properties of random chains. The method is based on the multicanonical technique of computing the density of states in the energy space. Such a…