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A novel dielectric scheme is proposed for strongly coupled electron liquids that handles quantum mechanical effects beyond the random phase approximation level and treats electronic correlations within the integral equation theory of…
In this paper we explore the use of an equation of motion decoupling method as an impurity solver to be used in conjunction with the dynamical mean field self-consistency condition for the solution of lattice models. We benchmark the…
Recently solvers for the Anderson impurity model (AIM) working directly on the real-frequency axis have gained much interest. A simple and yet frequently used impurity solver is exact diagonalization (ED), which is based on a discretization…
The potential of Quantum Machine Learning (QML) in data-intensive science is strictly bottlenecked the difficulty of interfacing high-dimensional, chaotic classical data into resource-limited, noisy quantum processors. To bridge this gap,…
We develop a Python-based open-source package to analyze the results stemming from ab initio molecular-dynamics simulations of fluids. The package is best suited for applications on natural systems, like silicate and oxide melts,…
The study of quantum many-body physics in Liouvillian open quantum systems becomes increasingly important with the recent progress in experimental control on dissipative systems and their technological exploitation . A central question in…
We propose a distinct numerical approach to effectively solve the problem of partial diagonalization of the super-large-scale quantum electronic Hamiltonian matrices. The key ingredients of our scheme are the new method for arranging the…
We present an efficient impurity solver for the dynamical mean-field theory (DMFT). It is based on the separation of bath degrees of freedom into the low energy and the high energy parts. The former is solved exactly using exact…
We discuss a parameter-free and computationally efficient ab initio simulation approach for moderately and strongly correlated materials, the multitier self-consistent $GW$+EDMFT method. This scheme treats different degrees of freedom, such…
The continuous coupling function in quantum impurity problems is exactly partitioned into a part represented by a finite size Wilson chain and a part represented by a set of additional reservoirs, each coupled to one Wilson chain site.…
Recent developments in quantum hardware and quantum algorithms have made it possible to utilize the capabilities of current noisy intermediate-scale quantum devices for addressing problems in quantum chemistry and condensed matter physics.…
We present the TRIQS library, a Toolbox for Research on Interacting Quantum Systems. It is an open-source, computational physics library providing a framework for the quick development of applications in the field of many-body quantum…
Quantum computers hold immense potential in the field of chemistry, ushering new frontiers to solve complex many body problems that are beyond the reach of classical computers. However, noise in the current quantum hardware limits their…
Entanglement is paramount in quantum information processing. Many quantum systems suffer from spatial decoherence in distances over a wavelength and cannot be sustained over short time periods due to dissipation. However, long range…
The primary consideration in developing new material platforms for quantum applications is to optimize coherence. Despite its importance, decoherence processes remains challenging to experimentally interrogate and quantify. In this…
The efficient generation of high-fidelity entangled states is the key element for long-distance quantum communication, quantum computation and other quantum technologies, and at the same time the most resource-consuming part in many…
We present an efficient method to solve the impurity Hamiltonians involved in Dynamical Mean-Field Theory at low but finite temperature, based on the extension of the Lanczos algorithm from ground state properties alone to excited states.…
EPIq (Electron-Phonon wannier Interpolation over k and q-points) is an open-source software for the calculation of electron-phonon interaction related properties from first principles.Acting as a post-processing tool for a…
The application of quantum computing to data management has attracted growing interest, yet remains constrained by a limited understanding of how the physical behaviour of quantum devices relates to the structure and difficulty of database…
Many steady-state transport problems in condensed matter physics can be reduced to a set of coupled diffusion equations. This is true in particular when relaxation processes are sufficiently fast that the system is in the diffusive…