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An end-to-end strategy for hybrid quantum-classical computations of Green's functions in many-body systems is presented and applied to the pairing model. The scheme makes explicit use of the spectral representation of the Green's function,…
We introduce an efficient method to reconstruct the Wigner function of many-mode continuous variable systems. It is based on convex optimization with semidefinite programs, and also includes a version of the maximum entropy principle, in…
A rigorous microscopic theory for the description of quantum-transport phenomena in systems with open boundaries is proposed. We shall show that the application of the conventional Wigner-function formalism to this problem leads to…
Forty-five years after the point de d\'epart [1] of density functional theory, its applications in chemistry and the study of electronic structures keep steadily growing. However, the precise form of the energy functional in terms of the…
Wasserstein gradient flow has emerged as a promising approach to solve optimization problems over the space of probability distributions. A recent trend is to use the well-known JKO scheme in combination with input convex neural networks to…
An adaptation of the WKB method in the deformation quantization formalism is presented with the aim to obtain an approximate technique of solving the eigenvalue problem for energy in the phase space quantum approach. A relationship between…
We introduce a numerical method to simulate nonlinear open quantum dynamics of a particle in situations where its state undergoes significant expansion in phase space while generating small quantum features at the phase-space Planck scale.…
We have formulated and implemented a fully charge-self-consistent density functional theory plus dynamical mean field theory methodology which enables an efficient calculation of the total energy of realistic correlated electron systems.…
A new method ( PI-DFT ) which combines path integrals and density functional theory is proposed as a pathway to many fields of physics. Within path integral theory it is possible to construct particle densities without explicitly…
Using the quadrature bases that incorporate the spatiotemporal degrees of freedom, we develop a Wigner functional theory for quantum optics, as an extension of the Moyal formalism. Since the spatiotemporal quadrature bases span the complete…
A new class of integro-partial differential equation models is derived for the prediction of granular flow dynamics. These models are obtained using a novel limiting averaging method (inspired by techniques employed in the derivation of…
The Wigner function formalism has been applied to the analysis of elastic scattering processes. The new element of known formalism is the choice of the phase space on which the Wigner function is defined. This phase space is 4-dimensional…
The generation of input files for density functional theory (DFT) programs must often be manually done by researchers. If one wishes to produce a maximally localized wannier functions (MLWFs) the calculation consists of several separate…
Quantum engineering now allows to design and construct multi-qubit states in a range of physical systems. These states are typically quite complex in nature, with disparate, but relevant properties that include both single and multi-qubit…
We examine the visualization of quantum mechanics in phase space by means of the Wigner function and the Wigner function flow as a complementary approach to illustrating quantum mechanics in configuration space by wave functions. The Wigner…
We investigate the properties of many-electron systems in two-dimensional polygonal (triangle, square, pentagon, hexagon) potential wells by using the density functional theory. The development of the ground state electronic structure as a…
We have developed a high-order numerical method for the 3D simulation of viscous and inviscid multiphase flow described by a homogeneous equilibrium model and a general equation of state. Here we focus on single-phase, two-phase (gas-liquid…
The Wigner formulation of quantum mechanics is used to derive a new path integral representation of quantum density of states. A path integral Monte Carlo approach is developed for the numerical investigation of density of states, internal…
The harmonic oscillator with dissipation is studied within the framework of the Lindblad theory for open quantum systems. By using the Wang-Uhlenbeck method, the Fokker-Planck equation, obtained from the master equation for the density…
We present a novel approximate inference method for diffusion processes, based on the Wasserstein gradient flow formulation of the diffusion. In this formulation, the time-dependent density of the diffusion is derived as the limit of…