Related papers: Nonadiabatic nuclear-electron dynamics: a quantum …
We present a new formulation of the correlated electron-ion dynamics (CEID) scheme, which systematically improves Ehrenfest dynamics by including quantum fluctuations around the mean-field atomic trajectories. We show that the method can…
Among variational quantum algorithms designed for NISQ devices, ADAPT-VQE stands out for its robustness against barren plateaus, particularly in estimating molecular ground states. On the other hand, counterdiabatic algorithms have shown…
The exact nuclear time-dependent potential energy surface arises from the exact decomposition of electronic and nuclear motion, recently presented in [A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys. Rev. Lett. 105, 123002 (2010)]. Such…
Nanodevices exploiting quantum effects are critically important elements of future quantum technologies (QT), but their real-world performance is strongly limited by decoherence arising from local `environmental' interactions. Compounding…
Quantum computing has attracted considerable attention in recent years because it promises speed-ups that conventional supercomputers cannot offer, at least for some applications. Though existing quantum computers are, in most cases, still…
We present quantum electron transport theory that incorporates dynamical effects of motion of atoms on electrode-molecule interfaces in the calculations of the electric current. The theory is based on non-equilibrium Green's functions. We…
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 discuss nuclear dynamics at molecule-metal interfaces including non-equilibrium molecular junctions. Starting from the many-body states (pseudoparticle) formulation of the molecule-metal system in the molecular vibronic basis, we…
Many-particle quantum systems often give rise to exotic behaviors in their nonequilibrium dynamics that are rather challenging to reveal with analytical methods or with classical computation. Here, we consider the case of a system of many…
Adiabatic quantum computing is a universal model for quantum computing whose implementation using a gate-based quantum computer requires depths that are unreachable in the early fault-tolerant era. To mitigate the limitations of near-term…
The main obstacles to the realization of high-fidelity quantum gates are the control errors arising from inaccurate manipulation of a quantum system and the decoherence caused by the interaction between the quantum system and its…
We assess the prospects for algorithms within the general framework of quantum annealing (QA) to achieve a quantum speedup relative to classical state of the art methods in combinatorial optimization and related sampling tasks. We argue for…
Fine control of the dynamics of a quantum system is the key element to perform quantum information processing and coherent manipulations for atomic and molecular systems. In this paper we propose a control protocol using a tangent-pulse…
We present a general method for studying coupled qubits driven by adiabatically changing external parameters. Extended calculations are provided for a two-bit Hamiltonian whose eigenstates can be used as logical states for a quantum CNOT…
This paper explores several aspects of the adiabatic quantum computation model. We first show a way that directly maps any arbitrary circuit in the standard quantum computing model to an adiabatic algorithm of the same depth. Specifically,…
The challenge in building high-fidelity quantum gates lies in overcoming control errors and decoherence effects caused by the coupling between the quantum system and the external environment. Nonadiabatic holonomic quantum computation uses…
Streaking of photoelectrons has long been used for the temporal characterization of attosecond extreme ultraviolet pulses. When the time-resolved photoelectrons originate from a coherent superposition of electronic states, they carry an…
In the study of the electronic structure of heavy atoms, relativistic effects cannot be neglected and the Dirac operator naturally appears in place of the Schr\"odinger operator, raising a number of additional difficulties. The complexity…
While experimental advancements continue to expand the capabilities to control and probe non-equilibrium quantum matter at an unprecedented level, the numerical simulation of the dynamics of correlated quantum systems remains a pivotal…
Quantum computing uses the physical principles of very small systems to develop computing platforms which can solve problems that are intractable on conventional supercomputers. There are challenges not only in building the required…