Related papers: Coordinate-Space Solver for Superfluid Many-Fermio…
We present a self-consistent approach for computing the correlated quasiparticle spectrum of charged excitations in iterative $\mathcal{O}[N^5]$ computational time. This is based on the auxiliary second-order Green's function approach [O.…
The self-consistent Hartree-Fock-Bogoliubov problem in large boxes can be solved accurately in the coordinate space with the recently developed solvers HFB-AX (2D) and MADNESS-HFB (3D). This is essential for the description of superfluid…
We investigate the performance of Green's function coupled cluster singles and doubles (CCSD) method as a solver for Green's function embedding methods. To develop an efficient CC solver, we construct the one-particle Green's function from…
We study numerical methods for the rotating nonlinear Klein-Gordon (RKG) equation, a fundamental model in relativistic quantum physics, which exhibits highly oscillatory multiscale behavior due to the presence of a small parameter…
In this work we present an experimental demonstration of the Contextual Subspace Variational Quantum Eigensolver on superconducting quantum hardware. In particular, we compute the potential energy curve for molecular nitrogen, where a…
The gas of the interacted electrons is usually described within Kohn-Sham approximation by the set of Poisson and Schr\"{o}dinger equations with an effective potential for the single-particle wave functions. The solution of these equations…
We propose a mesh refinement technique for solving elliptic difference equations on unbounded domains based on the fast lattice Green's function (FLGF) method. The FLGF method exploits the regularity of the Cartesian mesh and uses the fast…
This paper presents a novel mass-conservative mixed multiscale method for solving flow equations in heterogeneous porous media. The media properties (the permeability) contain multiple scales and high contrast. The proposed method solves…
In recent years, topology optimization has been developed sufficiently and many researchers have concentrated on enhancing to computationally numerical algorithms for computational effectiveness of this method. Along with the development of…
Due to their small size and unique properties, single-molecule electronics have long seen research interest from experimentalists and theoreticians alike. From a theoretical standpoint, modeling these systems using electronic structure…
We employ Non-equilibrium Green's functions (NEGF) to describe the real-time dynamics of an adsorbate-surface model system exposed to ultrafast laser pulses. For a finite number of electronic orbitals, the system is solved exactly and…
In our lecture we discuss the fermion models with quasilocal interaction implemented by derivatives and a momentum cutoff as substitutes of QCD at low energies. They are investigated in the strong coupling regime when several coupling…
Smoothed particle hydrodynamics (SPH) offers distinct advantages for modeling many engineering problems, yet achieving high-order consistency in its conservative formulation remains to be addressed. While zero- and higher-order…
This paper aims to construct structure-preserving numerical schemes for multi-dimensional space fractional Klein-Gordon-Schr\"{o}dinger equation, which are based on the newly developed partitioned averaged vector field methods. First, we…
High order algorithms have emerged in numerical astrophysics as a promising avenue to reduce truncation error (proportional to a power of the linear resolution $\Delta x$) with only a moderate increase to computational expense. Significant…
Theoretical foundations and applications of the generalized spin-fermion (sp-d) exchange lattice model to various magnetic systems, e.g. rare-earth metals and compounds and magnetic semiconductors are discussed. The capabilities of the…
In this contribution, we present a full overview of the continuous stochastic gradient (CSG) method, including convergence results, step size rules and algorithmic insights. We consider optimization problems in which the objective function…
The calibration of CALPHAD (CALculation of PHAse Diagrams) models involves the solution of a very challenging high-dimensional multiobjective optimization problem. Traditional approaches to parameter fitting predominantly rely on…
Correlated classical and quantum many-particle systems out of equilibrium are of high interest in many fields, including dense plasmas, correlated solids, and ultracold atoms. Accurate theoretical description of these systems is challenging…
This work studies gradient coding (GC) in the context of distributed training problems with unreliable communication. We propose cooperative GC (CoGC), a novel gradient-sharing-based GC framework that leverages cooperative communication…