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The simulation of complex stochastic network dynamics arising, for instance, from models of coupled biomolecular processes remains computationally challenging. Often, the necessity to scan a models' dynamics over a large parameter space…

We propose a hybrid approach to simulate quantum many body dynamics by combining Trotter based quantum algorithm with classical dynamic mode decomposition. The interest often lies in estimating observables rather than explicitly obtaining…

Binding processes are difficult to sample with molecular-dynamics (MD) simulations. In particular, the state space exploration is often incomplete. Evaluating the molecular interaction energy on a grid circumvents this problem but is…

Quantum algorithms require accurate representations of electronic states on a quantum device, yet the approximation of electronic wave functions for strongly correlated systems remains a profound theoretical challenge, with existing methods…

Long ranged electrostatic interactions are time consuming to calculate in molecular dynamics and Monte-Carlo simulations. We introduce an algorithmic framework for simulating charged particles which modifies the dynamics so as to allow…

Optimally-shaped electromagnetic fields have the capacity to coherently control the dynamics of quantum systems and thus offer a promising means for controlling molecular transformations relevant to chemical, biological, and materials…

The prediction of complex dynamics remains an open problem across many domains of physics, where nonlinearities and multiscale interactions severely limit the reliability of conventional forecasting methods. Quantum reservoir computing…

One of the key applications for the emerging quantum simulators is to emulate the ground state of many-body systems, as it is of great interest in various fields from condensed matter physics to material science. Traditionally, in an analog…

We provide practical simulation methods for scalar field theories on a quantum computer that yield improved asymptotics as well as concrete gate estimates for the simulation and physical qubit estimates using the surface code. We achieve…

Open quantum systems are central to quantum optics, condensed matter, and chemistry, yet their simulation remains challenging for both classical and near-term quantum hardware. In this work we implement and execute utility-scale quantum…

Vortex interactions are commonly observed in atmospheric turbulence, plasma dynamics, and collective behaviors in biological systems. However, accurately simulating these complex interactions is highly challenging due to the need to capture…

Controlling the interaction graph between spins or qubits in a quantum simulator allows user-controlled tailoring of native interactions to achieve a target Hamiltonian. The flexibility of engineering long-ranged phonon-mediated spin-spin…

Achieving practical quantum speedup with limited resources is a crucial challenge in both academic and industrial communities. To address this, a partially fault-tolerant quantum computing architecture called ``space-time efficient analog…

Quantum computing has the potential to reduce the computational cost required for quantum dynamics simulations. However, existing quantum algorithms for coupled electron-nuclear dynamics simulation either require fault-tolerant devices, or…

Modeling of fluid flows requires corresponding adequate and effective approaches that would account for multiscale nature of the considered physics. Despite the tremendous growth of computational power in the past decades, modeling of fluid…

Dynamics simulation with frictional contacts is important for a wide range of applications, from cloth simulation to object manipulation. Recent methods using smoothed lagged friction forces have enabled robust and differentiable simulation…

To address the challenge posed by noise in real quantum devices, quantum error mitigation techniques play a crucial role. These techniques are resource-efficient, making them suitable for implementation in noisy intermediate-scale quantum…

A molecular dynamics (MD) simulation of planar Couette flow is presented for the minimal channel in which turbulence structures can be sustained. Evolution over a single breakdown and regeneration cycle is compared to computational fluid…

We derive a rigorous upper bound on the classical computation time of finite-ranged tensor network contractions in $d \geq 2$ dimensions. Consequently, we show that quantum circuits of single-qubit and finite-ranged two-qubit gates can be…

Digital quantum simulations offer exciting perspectives for the study of fermionic systems such as molecules or lattice models. However, with quantum error correction still being out of reach with present-day technology, a non-vanishing…