Related papers: WDVV equations: Hamiltonian operators and symbolic…
While quantum computing algorithms have been widely applied for electronic structure calculations, applications to molecular dynamics remain scarce. Complex and varied landscapes of molecular potential energy surfaces give rise to…
The Witten-Dijkgraaf-Verlinde-Verlinde (WDVV) equations have a rich structure related to the theory of Frobenius manifolds, with many known families of solutions. A Legendre transformation is a symmetry of the WDVV equations, introduced by…
In this paper, we present a method for the computation of the low-lying real eigenvalues of the Wilson-Dirac operator based on the Arnoldi algorithm. These eigenvalues contain information about several observables. We used them to calculate…
It is shown that the new Poisson brackets proposed in Part I of this work (J. Math. Phys. 34, 5747(hep-th/9305133)) arise naturally in an extension of the formal variational calculus incorporating divergences. The linear spaces of local…
We construct an abstract pseudodifferential calculus with operator-valued symbol, adapted to the treatment of Coulomb-type interactions, and we apply it to study the quantum evolution of molecules in the Born-Oppenheimer approximation, in…
In this paper, we briefly discuss the dynamic and functional approach to computer symbolic tensor analysis. The ccgrg package for Wolfram Language/Mathematica is used to illustrate this approach. Some examples of applications are attached.
In recent years, deep learning for modeling physical phenomena which can be described by partial differential equations (PDEs) have received significant attention. For example, for learning Hamiltonian mechanics, methods based on deep…
We develop a Koopman operator framework for studying the {computational properties} of dynamical systems. Specifically, we show that the resolvent of the Koopman operator provides a natural abstraction of halting, yielding a ``Koopman…
We develop a geometric framework for Weyl quantization on pseudo-Riemannian manifolds, in which pseudodifferential operators act on sections of vector bundles equipped with arbitrary connections. We construct the associated star product and…
A method for the nonintrusive and structure-preserving model reduction of canonical and noncanonical Hamiltonian systems is presented. Based on the idea of operator inference, this technique is provably convergent and reduces to a…
The study concerns a special symbolic calculus of interest for signal analysis. This calculus associates functions on the time-frequency half-plane f>0 with linear operators defined on the positive-frequency signals. Full attention is given…
We present a quantum algorithm for simulating rovibrational Hamiltonians on fault-tolerant quantum computers. The method integrates exact curvilinear kinetic energy operators and general-form potential energy surfaces expressed in a hybrid…
The hypercomputers compute functions or numbers, or more generally solve problems or carry out tasks, that cannot be computed or solved by a Turing machine. Several numerical simulations of a possible hypercomputational algorithm based on…
Hamiltonian Boundary Value Methods (in short, HBVMs) is a new class of numerical methods for the efficient numerical solution of canonical Hamiltonian systems. In particular, their main feature is that of exactly preserving, for the…
First order Hamiltonian operators of differential-geometric type were introduced by Dubrovin and Novikov in 1983, and thoroughly investigated by Mokhov. In 2D, they are generated by a pair of compatible flat metrics $g$ and $\tilde g$ which…
Simulation of quantum systems is expected to be one of the most important applications of quantum computing, with much of the theoretical work so far having focused on fermionic and spin-$\frac{1}{2}$ systems. Here, we instead consider…
We present two algorithms, one quantum and one classical, for estimating partition functions of quantum spin Hamiltonians. The former is a DQC1 (Deterministic quantum computation with one clean qubit) algorithm, and the first such for…
A generalization of canonical quantization which maps a dynamical operator to a dynamical superoperator is suggested. Weyl quantization of dynamical operator, which cannot be represented as Poisson bracket with some function, is considered.…
We develop an abstract framework for the investigation of quantization and dequantization procedures based on orthogonality relations that do not necessarily involve group representations. To illustrate the usefulness of our abstract method…
The first purpose of this article is to provide conditions for a bounded operator in $L^2(\R^n)$ to be the Weyl (resp. anti-Wick) quantization of a bounded continuous symbol on $\R^{2n}$. Then, explicit formulas for the Weyl (resp.…