相关论文: Symmetric Quasi Classical Dynamics with Quasi Diab…

This paper provides the first ab-initio on-the-fly example of using the Quasi-Diabatic (QD) scheme for non-adiabatic simulations with diabatic dynamics approaches. The QD scheme provides a seamless interface between diabatic quantum…

We generalize the quasi-diabatic (QD) propagation scheme to simulate the non-adiabatic polariton dynamics in molecule-cavity hybrid systems. The adiabatic-Fock states, which are the tensor product states of the adiabatic electronic states…

We perform on-the-fly non-adiabatic molecular dynamics simulations using the symmetrical quasi-classical (SQC) approach with the recently suggested molecular Tully models: ethylene and fulvene. We attempt to provide benchmarks of the SQC…

We investigate photoinduced proton-coupled electron transfer (PI-PCET) reaction through a recently devel- oped quasi-diabatic (QD) quantum dynamics propagation scheme. This scheme enables interfacing accurate diabatic-based quantum dynamics…

Quantum systems are typically subject to various environmental noise sources. Treating these environmental disturbances with a system-bath approach beyond weak coupling one must refer to numerical methods as, for example, the numerically…

Adiabatic quantum control is a powerful tool for quantum engineering and a key component in some quantum computation models, where accurate control over the timing of the involved pulses is not needed. However, the adiabatic condition…

At present, several models for quantum computation have been proposed. Adiabatic quantum computation scheme particularly offers this possibility and is based on a slow enough time evolution of the system, where no transitions take place. In…

Adiabatic processes can keep the quantum system in its instantaneous eigenstate, which is robust to noises and dissipation. However, it is limited by sufficiently slow evolution. Here, we experimentally demonstrate the transitionless…

Accelerating quantum dynamical simulations with quantum computing has received considerable attention but remains a significant challenge. In variational quantum algorithms for quantum dynamics, designing an expressive and shallow-depth…

Mixed-quantum-classical molecular dynamics simulation implies an effective measurement on the electronic states owing to continuously tracking the atomic forces.Based on this insight, we propose a quantum trajectory mean-field approach for…

We present a detailed derivation and numerical tests of a new mixed quantum-classical scheme to deal with non-adiabatic processes. The method is presented as the zero-th order approximation to the exact coupled dynamics of electrons and…

We propose a quantum Monte Carlo (QMC) algorithm for non-equilibrium dynamics in a system with a parameter varying as a function of time. The method is based on successive applications of an evolving Hamiltonian to an initial state and…

We develop a semi-classical method to simulate the motion of atoms in a dissipative optical lattice. Our method treats the internal states of the atom quantum mechanically, including all nonadiabatic couplings, while position and momentum…

On-the-fly quantum nonadiabatic dynamics for large systems greatly benefits from the adiabatic representation readily available from the electronic structure programs. However, frequently occurring in this representation conical…

Rapid and efficient preparation, manipulation and transfer of quantum states through an array of quantum dots (QDs) is a demanding requisite task for quantum information processing and quantum computation in solid-state physics.…

Adiabatic Quantum Computing (AQC) is a relatively new subject in the world of quantum computing, let alone Physics. Inspiration for this project has come from recent controversy around D-Wave Systems in British Columbia, Canada, who claim…

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…

Quantum computing promises to efficiently and accurately solve many important problems in quantum chemistry which elude classical solvers, such as the electronic structure problem of highly correlated materials. Two leading methods in…

Quantum state transformations that are robust to experimental imperfections are important for applications in quantum information science and quantum sensing. Counterdiabatic (CD) approaches, which use knowledge of the underlying system…

We review a scheme for the systematic design of quantum control protocols based on shortcuts to adiabaticity in few-level quantum systems. The adiabatic dynamics is accelerated by introducing high-frequency modulations in the control…