Related papers: Collisional S-Matrix for the Vibrational Dynamics …
A quantum algorithm for computing the determinant of a unitary matrix $U\in U(N)$ is given. The algorithm requires no preparation of eigenstates of $U$ and estimates the phase of the determinant to $t$ binary digits accuracy with…
Solving partial differential equations for extremely large-scale systems within a feasible computation time serves in accelerating engineering developments. Quantum computing algorithms, particularly the Hamiltonian simulations, present a…
We present a hardware-validated reference dataset for variational ground-state energy calculations of the hydrogen molecule H\(_2\) on several IBM Quantum processors available in 2026. Using a standardized workflow, we benchmark the impact…
We demonstrate the feasibility of quantum computing for large-scale, realistic chemical systems through the development of a new interface using a quantum circuit simulator and CP2K, a highly efficient first-principles calculation software.…
Described is n-level quantum system realized in the n-dimensional ''Hilbert'' space H with the scalar product G taken as a dynamical variable. The most general Lagrangian for the wave function and G is considered. Equations of motion and…
Quantum simulations of many-body systems offer novel methods for probing the dynamics of the Standard Model and its constituent gauge theories. Extracting low-energy predictions from such simulations rely on formulating…
Electronic decoherence processes in molecules and materials are usually thought and modeled via schemes for the system-bath evolution in which the bath is treated either implicitly or approximately. Here we present computations of the…
Quantum Computing is believed to be the ultimate solution for quantum chemistry problems. Before the advent of large-scale, fully fault-tolerant quantum computers, the variational quantum eigensolver~(VQE) is a promising heuristic quantum…
We present a nonperturbative recipe for directly computing the $S$-matrix in strongly-coupled QFTs. The method makes use of spectral data obtained in a Hamiltonian framework and can be applied to a wide range of theories, including…
In the future, ab initio quantum simulations of heavy ion collisions may become possible with large-scale fault-tolerant quantum computers. We propose a quantum algorithm for studying these collisions by looking at a class of observables…
Quantum computing has recently been emerging in theoretical chemistry as a realistic avenue meant to offer computational speedup to challenging eigenproblems in the context of strongly-correlated molecular systems or extended materials.…
We present an efficient, nearly optimal quantum algorithm for solving linear matrix differential equations, with applications to the simulation of open quantum systems and beyond. For unitary or dissipative dynamics, the algorithm computes…
Quantum-based molecular dynamics (QMD) is a highly accurate and transferable method for material science simulations. However, the time scales and system sizes accessible to QMD are typically limited to picoseconds and a few hundred atoms.…
We consider quantum systems with a Hamiltonian containing a weak perturbation i.e. $\boldsymbol{H=H_0} + \boldsymbol{\lambda} \cdot \boldsymbol{\tilde{H}}$, $\boldsymbol{\lambda}= \{\lambda_1, \lambda_2,...\}$, $\boldsymbol{\tilde{H}}$ $=…
A non-adiabatic nuclear wavepacket dynamics simulation of the H$_2$O$^+$ de-excitation process is performed based on electronic structure calculations using the variational quantum eigensolver. The adiabatic potential energy surfaces and…
We present an algorithm for constructing analytically approximate integrals of motion in simple time periodic Hamiltonians of the form $H=H_0+ \varepsilon H_i$, where $\varepsilon$ is a perturbation parameter. We apply our algorithm in a…
In recent years, energy correlators have emerged as powerful observables for probing the fragmentation dynamics of high-energy collisions. We introduce the first numerical strategy for calculating energy correlators using the Hamiltonian…
Decoherence of quantum hardware is currently limiting its practical applications. At the same time, classical algorithms for simulating quantum circuits have progressed substantially. Here, we demonstrate a hybrid framework that integrates…
The Vlasov-Maxwell equations provide kinetic simulations of collisionless plasmas, but numerically solving them on classical computers is often impractical. This is due to the computational resource constraints imposed by the time evolution…
Rigorous quantum dynamics calculations provide essential insights into complex scattering phenomena across atomic and molecular physics, chemical reaction dynamics, and astrochemistry. However, the application of the gold-standard quantum…