Related papers: Quantum and Structural Effects Captured via a Stat…
In quantum/classical (QM/CM) partitioning methods for multi-scale modeling, one is often forced to introduce uncontrolled phenomenological effects of the environment (CM) in the quantum (QM) domain as ab initio quantum calculations are…
We have introduced a tool to describe in a simple and efficient way the outcomes of known nuclear reaction codes. It differs from the customary use where typically a specific single model is selected and the remaining disregarded. The use…
We show how to apply the quantum adiabatic algorithm directly to the quantum computation of molecular properties. We describe a procedure to map electronic structure Hamiltonians to 2-local qubit Hamiltonians with a small set of physically…
In the real-time manipulation of quantum states, it is necessary to dynamically control the parameters of the system's Hamiltonian. We have studied the survival probability during the conveyance of a particle by a trapping potential, where…
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,…
Quantum transport in a one-dimensional (1D) quasiperiodic lattice with mobility edges is explored. We first investigate the adiabatic pumping between left and right edge modes by resorting to two edge-bulk-edge channels and demonstrate that…
The quantum adiabatic theorem is fundamental to time dependent quantum systems, but being able to characterize quantitatively an adiabatic evolution in many-body systems can be a challenge. This work demonstrates that the use of appropriate…
Many schemes to realize quantum state transfer in spin chains are not robust to random fluctuations in the spin-spin coupling strength. In efforts to achieve robust quantum state transfer, an adiabatic quantum population transfer scheme is…
Modeling the energy and forces of atomic systems is a fundamental problem in computational chemistry with the potential to help address many of the world's most pressing problems, including those related to energy scarcity and climate…
We first use the quantum method to replicate the well-known results of a single atom relaxing, whilst demonstrating the intuitive picture it provides for dissipative dynamics. By use of individual "quantum trajectories", the method allows…
The Random Coupling Model (RCM) is a statistical approach for studying the scattering properties of linear wave chaotic systems in the semi-classical regime. Its success has been experimentally verified in various over-moded wave settings,…
A five-dimensional coupled states (5D-CS) approximation is used to compute cross sections and rate coefficients for CO+H2 collisions. The 5D-CS calculations are benchmarked against accurate six-dimensional close-coupling (6D-CC)…
Quantum coherence and quantum correlations are studied in the strongly interacting system composed of two qubits and an oscillator with the presence of a parametric medium. To analytically solve the system, we employ the adiabatic…
We investigate the distribution function, the heat flow and the noise properties of an adiabatic quantum pump for an arbitrary relation of pump frequency $\omega$ and temperature. To achieve this we start with the scattering matrix approach…
Accurate description of nonadiabatic dynamics of molecules at metal surfaces involving electron transfer has been a longstanding challenge for theory. Here, we tackle this problem by first constructing high-dimensional neural network…
Quantum adiabatic transfer is widely used in quantum computation and quantum simulation. However, the transfer speed is limited by the quantum adiabatic approximation condition, which hinders its application in quantum systems with a short…
We show that techniques of spatial adiabatic passage can be used to realise an electron interferometer in a geometry analogous to a conventional Aharonov-Bohm ring, with transport of the particle through the device modulated using coherent…
The quantum normal form approach to quantum transition state theory is used to compute the cumulative reaction probability for collinear exchange reactions. It is shown that for heavy atom systems like the nitrogen exchange reaction the…
We use an adiabatic approximation in terms of instantaneous resonances to study the steady-state and time-dependent transport properties of interacting electrons in biased resonant tunneling heterostructures. This approach leads, in a…
The need for fast and robust quantum state transfer is an essential element in scalable quantum information processing, leading to widespread interest in shortcuts to adiabaticity for speeding up adiabatic quantum protocols. However,…