Related papers: Collisional S-Matrix for the Vibrational Dynamics …
We show that the Variational Quantum-Classical Simulation algorithm admits a finite circuit depth scaling collapse when targeting the critical point of the transverse field Ising chain. The order parameter only collapses on one side of the…
We introduce a hybrid classical-quantum algorithm for simulating a Hamiltonian of the form $H= \sum_{i=1}^K H_i = \sum_{i=1}^K H_{i_1} \otimes H_{i_2} \otimes \cdots \otimes H_{i_M}$. Given that the entries of all $\{ H_{i_1}, H_{i_2} ,…
We discuss the effect of slow phase relaxation and the spin off-diagonal $S$-matrix correlations on the cross section energy oscillations and the time evolution of the highly excited intermediate systems formed in complex collisions. Such…
We calculate rovibrational energy levels of H$_2$O using a trapped-ion quantum computer. We first derive the qubit form of Watson's Hamiltonian, including the rovibrational coupling terms. In a second step, we employ a variant of the…
The matrix elements and energies needed to calculate vibrational-rotational state resolved cross sections and rate coefficients for radiative association of H and p and for photodissociation of H${}_2^+$ are presented for applications to…
Quantum simulation holds the promise of improving the atomic simulations used at EDF to anticipate the ageing of materials of interest. One simulator in particular seems well suited to modeling interacting electrons: the Rydberg atoms…
The "folding algorithm"\cite{fold1} is a matrix product state algorithm for simulating quantum systems that involves a spatial evolution of a matrix product state. Hence, the computational effort of this algorithm is controlled by the…
We present a two-dimensional classical stochastic differential equation for a displacement field of a point particle in two dimensions and show that its components define real and imaginary parts of a complex field satisfying the…
The time-dependent quantum system of two laser-driven electrons in a harmonic oscillator potential is analysed, taking into account the repulsive Coulomb interaction between both particles. The Schrodinger equation of the two-particle…
To overcome the fast oscillatory behavior of correlation functions for extracting scattering phase shift in real-time quantum simulations encountered in Ref.\cite{Guo:2026qkx}, we propose and test two solutions in the present work. One is…
The computation of molecular excitation energies is essential for predicting photo-induced reactions of chemical and technological interest. While the classical computing resources needed for this task scale poorly, quantum algorithms…
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…
We establish a link between quantum mechanical molecular simulations and the transfer matrix of a molecule. The transfer matrix (T-matrix) of an object provides a complete description of its electromagnetic response. Once the T-matrices of…
We present quantum algorithms for solving two problems regarding stochastic processes. The first algorithm prepares the thermal Gibbs state of a quantum system and runs in time almost linear in $\sqrt{N \beta/{\cal Z}}$ and polynomial in…
Variational Quantum algorithms, especially Quantum Approximate Optimization and Variational Quantum Eigensolver (VQE) have established their potential to provide computational advantage in the realm of combinatorial optimization. However,…
In this paper, we aim to broaden the spectrum of possible applications of quantum computers and use their capabilities to investigate effects in cavity quantum electrodynamics ("cavity QED"). Interesting application examples are material…
We use the time-independent quantum-mechanical formulation of reactive collisions in order to investigate the state-to-state $\mathrm{H}^+ + \mathrm{HD} \to \mathrm{D}^+ + \mathrm{H}_2$ chemical reaction. We compute cross sections for…
A fast simulation algorithm for the calculation of multitime correlation functions of open quantum systems is presented. It is demonstrated that any stochastic process which ``unravels'' the quantum Master equation can be used for the…
We study the dynamics of the collision between two fermions in Hubbard model with on-site interaction strength $U$. The exact solution shows that the scattering matrix for two-wavepacket collision is separable into two independent parts,…
We provide a quantum algorithm for simulating the dynamics of sparse Hamiltonians with complexity sublogarithmic in the inverse error, an exponential improvement over previous methods. Specifically, we show that a $d$-sparse Hamiltonian $H$…