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Accurate prediction of protein active-site structures remains a central challenge in structural biology, particularly for short and flexible peptide fragments where conventional and simulation-based methods often fail. Here, we present a…
Quantum-mechanical initial conditions for the fluctuations of the geometry can be assigned in excess of a given physical wavelength. The two-point functions of the scalar and tensor modes of the geometry will then inherit corrections…
Electronic ground states are of central importance in chemical simulations, but have remained beyond the reach of efficient classical algorithms except in cases of weak electron correlation or one-dimensional spatial geometry. We introduce…
A method to compute the optimal success probability of discrimination of N arbitrary quantum states is presented, based on the decomposition of any N-outcome measurement into sequences of nested two-outcome ones. In this way the…
Variational quantum eigensolver (VQE) is an efficient computational method promising chemical accuracy in electronic structure calculations on a universal-gate quantum computer. However, such a simple task as computing the electronic energy…
Time symmetry in quantum mechanics, where the current quantum state is determined jointly by both the past and the future, offers a more comprehensive description of physical phenomena. This symmetry facilitates both forward and backward…
Even a minor boost in solving combinatorial optimization problems can greatly benefit multiple industries. Quantum computers, with their unique information processing capabilities, hold promise for delivering such enhancements. The…
Optimizing over separable quantum objects is challenging for two key reasons: determining separability is NP-hard, and the dimensionality of the problem grows exponentially with the number of qubits. We address both challenges by…
Current quantum simulators are primarily qubit-based, making them naturally suitable for simulating 2-level quantum systems. However, many systems in nature are inherently $d$-level, including higher spins, bosons, vibrational modes, and…
A central roadblock in the realization of variational quantum eigensolvers on quantum hardware is the high overhead associated with measurement repetitions, which hampers the computation of complex problems, such as the simulation of mid-…
Variational quantum algorithms are viewed as promising candidates for demonstrating quantum advantage on near-term devices. These approaches typically involve the training of parameterized quantum circuits through a classical optimization…
The study of spontaneous supersymmetry breaking (SSB) on the lattice is obstructed by a severe sign problem. Quantum computing provides a promising alternative approach. In particular, properties of supersymmetry relate SSB to the…
This work investigates the performance of numerical optimization algorithms applied to the State-Averaged Orbital-Optimized Variational Quantum Eigensolver for the H2 molecule under various quantum noise conditions. The goal is to assess…
We propose a hybrid quantum-classical algorithm for approximating the ground state and ground state energy of a Hamiltonian. Once the Ansatz has been decided, the quantum part of the algorithm involves the calculation of two overlap…
Variational quantum eigensolver (VQE) is a promising algorithm suitable for near-term quantum machines. VQE aims to approximate the lowest eigenvalue of an exponentially sized matrix in polynomial time. It minimizes quantum resource…
Quantum simulation of strongly correlated systems is potentially the most feasible useful application of near-term quantum computers. Minimizing quantum computational resources is crucial to achieving this goal. A promising class of…
Chaotic eigenstates of quantum systems are known to localize on either side of a classical partial transport barrier if the flux connecting the two sides is quantum mechanically not resolved due to Heisenberg's uncertainty. Surprisingly, in…
The variational quantum eigensolver (VQE) is one of the most appealing quantum algorithms to simulate electronic structure properties of molecules on near-term noisy intermediate-scale quantum devices. In this work, we generalize the VQE…
Within the evolving domain of quantum computational chemistry, the Variational Quantum Eigensolver (VQE) has been developed to explore not only the ground state but also the excited states of molecules. In this study, we compare the…
The Variational Quantum Eigensolver (VQE) is a promising hybrid algorithm, utilizing both quantum and classical computers to obtain the ground state energy of molecules. In this context, this study applies VQE to investigate the ground…