Related papers: Nonadiabatic Quantum Dynamics with Frozen-Width Ga…
Periodically driven systems have emerged as a useful technique to engineer the properties of quantum systems, and are in the process of being developed into a standard toolbox for quantum simulation. An outstanding challenge that leaves…
It is a fundamental problem to characterize the nonequilibrium processes. For a slowly moving one-dimensional potential, we explore the quasi adiabatic dynamics of the initial energy eigenstates for a confined quantum system interacting…
We build on the concept of eigenvector continuation to develop an efficient multi-state method for the rigorous and smooth interpolation of a small training set of many-body wavefunctions through chemical space at mean-field cost. The…
Crossing a quantum critical point in finite time challenges the adiabatic condition due to the closing of the energy gap, which ultimately results in the formation of excitations. Such non-adiabatic excitations are typically deemed…
Beyond the adiabatic regime, our understanding of quantum dynamics in coupled systems remains limited, and the choice of representation continues to obscure physical interpretation and simulation accuracy. Here we propose a natural and…
Trajectory-based methods that propagate classical nuclei on multiple quantum electronic states are often used to simulate nonadiabatic processes in the condensed phase. A long-standing problem of these methods is their lack of detailed…
This paper deals with the concept of adiabaticity for fully quantum mechanically cavity QED models. The physically interesting cases of Gaussian and standing wave shapes of the cavity mode are considered. An analytical approximate measure…
Microscopic thermal machines promise to play an important role in future quantum technologies. Making such devices widely applicable will require effective strategies to channel their output into easily accessible storage systems like…
Keeping a quantum system in a given instantaneous eigenstate is a control problem with numerous applications, e.g., in quantum information processing. The problem is even more challenging in the setting of open quantum systems, where…
The adiabatic motion of a charged, spinning, quantum particle in a two - dimensional magnetic field is studied. A suitable set of operators generalizing the cinematical momenta and the guiding center operators of a particle moving in a…
The success of adiabatic quantum computation (AQC) depends crucially on the ability to maintain the quantum computer in the ground state of the evolution Hamiltonian. The computation process has to be sufficiently slow as restricted by the…
Geometric quantum computation is the idea that geometric phases can be used to implement quantum gates, i.e., the basic elements of the Boolean network that forms a quantum computer. Although originally thought to be limited to adiabatic…
The use of the nuclear spins surrounding electron spin qubits as quantum registers and long-lived memories opens the way to new applications in quantum information and biological sensing. Hence, there is a need for generic and robust forms…
Electronic friction and Langevin dynamics is a popular mixed quantum-classical method for simulating the nonadiabatic dynamics of molecules interacting with metal surfaces, as it can be computationally more efficient than fully quantum…
We present an overview of the role of quantum coherence in influencing nonadiabatic processes in the condensed phase. Equations of motion for mixed quantum-classical dynamics are derived from the Consistent Histories interpretation of…
The crossover from nonadiabatic to adiabatic electron transfer has been theoretically studied under a spin-boson model (dissipative two-state system) description. We present numerically exact data for the thermal transfer rate and the…
Nonadiabatic effects that arise from the concerted motion of electrons and atoms at comparable energy and time scales are omnipresent in thermal and light-driven chemistry at metal surfaces. Excited (hot) electrons can measurably affect…
We propose a Truncated Gaussian Basis Approach (TGBA) for simulating the dynamics of quantum many-body systems. The approach constructs an effective Hamiltonian within a reduced subspace, spanned by fermionic Gaussian states, and…
We present a new variational method for investigating the ground state and out of equilibrium dynamics of quantum many-body bosonic and fermionic systems. Our approach is based on constructing variational wavefunctions which extend Gaussian…
Non-adiabatic molecular dynamics (NAMD) simulations have become an indispensable tool for investigating excited-state dynamics in solids. In this work, we propose a general framework, N$^2$AMD which employs an E(3)-equivariant deep neural…