Related papers: Quantum simulation of FMO complex using one-parame…
The structure of Fenna-Matthews-Olson (FMO) light-harvesting complex has long been recognized as containing seven bacteriochlorophyll (BChl) molecules. Recently, an additional BChl molecule was discovered in the crystal structure of the FMO…
Many quantum algorithms, including recently proposed hybrid classical/quantum algorithms, make use of restricted tomography of the quantum state that measures the reduced density matrices, or marginals, of the full state. The most…
Electronic structure and transport in realistically-sized systems often require an open quantum system (OQS) treatment, where the system is defined in the context of an environment. As OQS evolution is non-unitary, implementation on quantum…
In Ref. [Phys. Rev. A 100, 062317 (2019)], the authors reported an algorithm to implement, in a circuit-based quantum computer, a general quantum measurement (GQM) of a two-level quantum system, a qubit. Even though their algorithm seems…
Including the effect of the molecular environment in the numerical modeling of time-resolved electronic spectroscopy remains an important challenge in computational spectroscopy. In this contribution, we present a general approach for the…
Although the conditions for performing arbitrary unitary operations to simulate the dynamics of a closed quantum system are well understood, the same is not true of the more general class of quantum operations (also known as superoperators)…
The simple genetic algorithm is proposed for the simulation of quantum many body dynamics. It uses the selection of entangled quantum states and has the inbuilt absolute decoherence that comes from the limitation of classical memory. It…
Quantum phase estimation is at the heart of most quantum algorithms with exponential speedup. In this letter we demonstrate how to utilize it to compute the dynamical response functions of many-body quantum systems. Specifically, we design…
Quantum simulation of the interactions of fermions and bosons -- the fundamental particles of nature -- is essential for modeling complex quantum systems in material science, chemistry and high-energy physics and has been proposed as a…
We present a quantum Monte Carlo algorithm for the simulation of general quantum and classical many-body models within a single unifying framework. The algorithm builds on a power series expansion of the quantum partition function in its…
We introduce novel algorithms for the quantum simulation of molecular systems which are asymptotically more efficient than those based on the Trotter-Suzuki decomposition. We present the first application of a recently developed technique…
Quantum algorithms have the potential to revolutionize our understanding of open quantum systems in chemistry. In this work, we demonstrate that a repeated interaction model, which could serve as the foundation for a digital quantum…
We are concerned with numerical simulations of quantum optical circuits under certain realistic conditions, specifically that photon quantum states are not perfectly indistinguishable. The partial photon distinguishability presents a…
Quantum simulation represents the most promising quantum application to demonstrate quantum advantage on near-term noisy intermediate-scale quantum (NISQ) computers, yet available quantum simulation algorithms are prone to errors and thus…
We present an efficient quantum algorithm for beyond-Born-Oppenheimer molecular energy computations. Our approach combines the quantum full configuration interaction method with the nuclear orbital plus molecular orbital (NOMO) method. We…
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…
We introduce a new method for representing the low energy subspace of a bosonic field theory on the qubit space of digital quantum computers. This discretization leads to an exponentially precise description of the subspace of the…
We propose a scheme for the construction of one-particle Green's function (GF) of an interacting electronic system via statistical sampling on a quantum computer. Although the non-unitarity of creation and annihilation operators for the…
While general quantum many-body systems require exponential resources to be simulated on a classical computer, systems of non-interacting fermions can be simulated exactly using polynomially scaling resources. Such systems may be of…
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…