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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.…
A new type of quantum simulator is proposed which can simulate any quantum many-body system in an isomorphic manner. It can actually synthesize a duplicate of the system to be simulated. The isomorphic simulation has the great advantage…
We report experimental implementation of discrete Fourier transformation(DFT) on a nuclear magnetic resonance(NMR) quantum computer. Experimental results agree with theoretical results. Using the pulse sequences we introduced, DFT can be…
The numerical emulation of quantum physics and quantum chemistry often involves an intractable number of degrees of freedom and admits no known approximation in general form. In practice, representing quantum-mechanical states using…
We propose an iterative algorithm to simulate the dynamics generated by any $n$-qubit Hamiltonian. The simulation entails decomposing the unitary time evolution operator $U$ (unitary) into a product of different time-step unitaries. The…
Nuclear magnetic resonance techniques are used to realize a quantum algorithm experimentally. The algorithm allows a simple NMR quantum computer to determine global properties of an unknown function requiring fewer function ``calls'' than…
We review a recent theoretical proposal for a universal quantum computing platform based on tunable nonlinear electromechanical nano-oscillators, in which qubits are encoded in the anharmonic vibrational modes of mechanical resonators…
An isolated system of interacting quantum particles is described by a Hamiltonian operator. Hamiltonian models underpin the study and analysis of physical and chemical processes throughout science and industry, so it is crucial they are…
Owing to their great expressivity and versatility, neural networks have gained attention for simulating large two-dimensional quantum many-body systems. However, their expressivity comes with the cost of a challenging optimization due to…
Quantum pseudorandomness, also known as unitary designs, comprise a powerful resource for quantum computation and quantum engineering. While it is known in theory that pseudorandom unitary operators can be constructed efficiently, realizing…
A potential approach for demonstrating quantum advantage is using quantum computers to simulate fermionic systems. Quantum algorithms for fermionic system simulation usually involve the Hamiltonian evolution and measurements. However, in…
Tensor network theory and quantum simulation are respectively the key classical and quantum computing methods in understanding quantum many-body physics. Here, we introduce the framework of hybrid tensor networks with building blocks…
We propose the simulation of quantum-optical systems in the ultrastrong-coupling regime using a variational quantum algorithm. More precisely, we introduce a short-depth variational form to prepare the groundstate of the multimode Dicke…
Quantum simulators are controllable systems that can be used to simulate other quantum systems. Here we focus on the dynamics of a chain of molecular qubits with interposed antiferromagnetic dimers. We theoretically show that its dynamics…
Inspired by the idea that quantum computers can be useful in advancing basic science, we use a quantum processor to experimentally validate a number of theoretical results in non-equilibrium quantum thermodynamics, that were not (or were…
Physical systems, characterized by an ensemble of interacting elementary constituents, can be represented and studied by different algebras of observables or operators. For example, a fully polarized electronic system can be investigated by…
We report the quantum computing of reacting flows by simulating the Hamiltonian dynamics. The scalar transport equation for reacting flows is transformed into a Hamiltonian system, mapping the dissipative and non-Hermitian problem in…
In this paper, we investigate the use of variational quantum algorithms for simulating the thermodynamic properties of dinuclear metal complexes. Our study highlights the potential of quantum computing to transform advanced simulations and…
We show how quantum metrology protocols that seek to estimate the parameters of a Hamiltonian that exhibits a quantum phase transition can be efficiently simulated on an exponentially smaller quantum computer. Specifically, by exploiting…
Today, people are looking forward to get an awesome computational power. This kind of desire can be answered by quantum computing. By adopting quantum mechanics theory, it can generate a very fast computation result. As known, quantum…