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In the context of unfitted finite element discretizations the realization of high order methods is challenging due to the fact that the geometry approximation has to be sufficiently accurate. We consider a new unfitted finite element method…
We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in previous work [Babbush et al., New…
Quantum simulations of electronic structure with a transformed Hamiltonian that includes some electron correlation effects are demonstrated. The transcorrelated Hamiltonian used in this work is efficiently constructed classically, at…
Adaptive Molecular Resolution approaches in Molecular Dynamics are becoming relevant tools for the analysis of molecular liquids characterized by the interplay of different physical scales. The essential difference among these methods is in…
According to von Neumann, the global Hamiltonian of whole universe must be Hermitian in order to keep the eigenvalues real and to construct a self-consistent quantum theory. In addition to the open system approach by introducing…
We develop a method to transform a collection of higher-dimensional spin systems from the thermal state with a very high temperature of a local spin-s Hamiltonian to a low-lying energy eigenstate of the same. The procedure utilizes an…
We consider {\em discretized} Hamiltonian PDEs associated with a Hamiltonian function that can be split into a linear unbounded operator and a regular nonlinear part. We consider splitting methods associated with this decomposition. Using a…
We present a method to compute the Fermi function of the Hamiltonian for a system of independent fermions, based on an exact decomposition of the grand-canonical potential. This scheme does not rely on the localization of the orbitals and…
In recent years, analog quantum simulators have reached unprecedented quality, both in qubit numbers and coherence times. Most of these simulators natively implement Ising-type Hamiltonians, which limits the class of models that can be…
The renormalization method based on the Taylor expansion for asymptotic analysis of differential equations is generalized to difference equations. The proposed renormalization method is based on the Newton-Maclaurin expansion. Several basic…
We propose the regularized compressed double factorization (RC-DF) method to classically compute compressed representations of molecular Hamiltonians that enable efficient simulation with noisy intermediate scale (NISQ) and error corrected…
We devise and evaluate numerically Hybrid High-Order (HHO) methods for hyperelastic materials undergoing finite deformations. The HHO methods use as discrete unknowns piecewise polynomials of order $k\ge1$ on the mesh skeleton, together…
A potential approach for demonstrating quantum advantage is using quantum computers to simulate fermionic systems. Quantum algorithms for fermionic system simulation usually involve the Hamiltonian evolution and measurements. However, in…
High-order reconstruction schemes for the solution of hyperbolic conservation laws in orthogonal curvilinear coordinates are revised in the finite volume approach. The formulation employs a piecewise polynomial approximation to the…
We derive in this note a high-order corrector estimate for the homogenization of a microscopic semi-linear elliptic system posed in perforated domains. The major challenges are the presence of nonlinear volume and surface reaction rates.…
We consider a wide class of semi linear Hamiltonian partial differential equa- tions and their approximation by time splitting methods. We assume that the nonlinearity is polynomial, and that the numerical tra jectory remains at least uni-…
Higher-order exceptional points in the spectrum of non-Hermitian Hamiltonians describing open quantum or wave systems have a variety of potential applications in particular in optics and photonics. However, the experimental realization is…
Though ubiquitous as first-principles models for conservative phenomena, Hamiltonian systems present numerous challenges for model reduction even in relatively simple, linear cases. Here, we present a method for the projection-based model…
A phenomenological Hamiltonian of a closed (i.e., unitary) quantum system is assumed to have an $N$ by $N$ real-matrix form composed of a unperturbed diagonal-matrix part $H^{(N)}_0$ and of a tridiagonal-matrix perturbation…
Critical phase transitions contain a variety of deep and universal physics, and are intimately tied to thermodynamic quantities through scaling relations. Yet, these notions are challenged in the context of non-Hermiticity, where spatial or…