Related papers: Quantum simulation of molecules in solution
Quantum computational chemistry holds great promise for simulating molecular systems more efficiently than classical methods by leveraging quantum bits to represent molecular wavefunctions. However, current implementations face significant…
We present a comprehensive study of quantum simulation methods and quantum simulators for classical computers. We first study an exhaustive set of 150+ simulators and quantum libraries. Then, we short-list the simulators that are actively…
Accurate simulation of dynamical processes in molecules and reactions is among the most challenging problems in quantum chemistry. Quantum computers promise efficient chemical simulation, but the existing quantum algorithms require many…
This paper compares quantum computing simulators running on a single CPU or GPU-based HPC node using the Quantum Volume benchmark commonly proposed for comparing NISQ systems. As simulators do not suffer from noise, the metric used in the…
Simulating chemical dynamics is computationally challenging, especially for nonadiabatic dynamics, where numerically exact classical simulations scale exponentially with system size, becoming intractable for even small molecules. On quantum…
Classical optimizers play a crucial role in determining the accuracy and convergence of variational quantum algorithms. In literature, many optimizers, each having its own architecture, have been employed expediently for different…
We show that the time evolution of the wave function of a quantum mechanical many particle system can be implemented very efficiently on a quantum computer. The computational cost of such a simulation is comparable to the cost of a…
Practical challenges in simulating quantum systems on classical computers have been widely recognized in the quantum physics and quantum chemistry communities over the past century. Although many approximation methods have been introduced,…
Recently developed quantum algorithms suggest that quantum computers can solve certain problems and perform certain tasks more efficiently than conventional computers. Among other reasons, this is due to the possibility of creating…
Special stochastic representation of the wave function in Quantum Mechanics (QM), based on soliton realization of extended particles, is suggested with the aim to model quantum states via classical computer. Entangled solitons construction…
Quantum computing can provide speedups in solving many problems as the evolution of a quantum system is described by a unitary operator in an exponentially large Hilbert space. Such unitary operators change the phase of their eigenstates…
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…
Quantum computing has quickly emerged as a revolutionary paradigm that holds the potential for greatly enhanced computational capability and algorithmic efficiency, in a wide range of areas. Among the various hardware platforms, neutral…
We define formally decohered quantum computers (using density matrices), and present a simulation of them by a probabalistic classical Turing Machine. We study the slowdown of the simulation for two cases: (1) sequential quantum computers,…
Realistic modeling of qubit systems including noise and constraints imposed by control hardware is required for performance prediction and control optimization of quantum processors. We introduce qopt, a software framework for simulating…
All-atom simulations can provide molecular-level insights into the dynamics of gas-phase, condensed-phase and surface processes. One important requirement is a sufficiently realistic and detailed description of the underlying intermolecular…
Quantum computing holds potential for accelerating the simulation of fluid dynamics. However, hardware noise in the noisy intermediate-scale quantum era significantly distorts simulation accuracy. Although error magnitudes are frequently…
Digital quantum simulation on quantum systems require algorithms that can be implemented using finite quantum resources. Recent studies have demonstrated digital quantum simulation of open quantum systems on Noisy Intermediate-Scale Quantum…
Variational algorithms may enable classically intractable simulations on near-future quantum computers. However, their potential is limited by hardware errors. It is therefore crucial to develop efficient ways to mitigate these errors.…
In the era of quantum computing, the emergence of quantum computers and subsequent advancements have led to the development of various quantum algorithms capable of solving linear equations and eigenvalues, surpassing the pace of classical…