Systematic Coarse Graining of Environments for the Nonperturbative Simulation of Open Quantum Systems.

Conducting precise electronic-vibrational dynamics simulations of molecular systems poses significant challenges when dealing with realistic environments composed of numerous vibrational modes. Here, we introduce a technique for the construction of effective phonon spectral densities that capture accurately open-system dynamics over a finite time interval of interest. When combined with existing nonperturbative simulation tools, our approach can reduce significantly the computational costs associated with many-body open-system dynamics.

Spin-Dependent Momentum Conservation of Electron-Phonon Scattering in Chirality-Induced Spin Selectivity.

The elucidation of the mechanisms underpinning chirality-induced spin selectivity remains an outstanding scientific challenge. Here we consider the role of delocalized phonon modes in electron transport in chiral structures and demonstrate that spin selectivity can originate from spin-dependent energy and momentum conservation in electron-phonon scattering events. While this mechanism is robust to the specific nature of the vibrational modes, the degree of spin polarization depends on environmental factors, such as the specific temperature and phonon relaxation rates, as well as the presence of external driving fields. This parametric dependence is used to present experimentally testable predictions of our model.

Fingerprint and Universal Markovian Closure of Structured Bosonic Environments.

We exploit the properties of chain mapping transformations of bosonic environments to identify a finite collection of modes able to capture the characteristic features, or fingerprint, of the environment. Moreover we show that the countable infinity of residual bath modes can be replaced by a universal Markovian closure, namely, a small collection of damped modes undergoing a Lindblad-type dynamics whose parametrization is independent of the spectral density under consideration. We show that the Markovian closure provides a quadratic speedup with respect to standard chain mapping techniques and makes the memory requirement independent of the simulation time, while preserving all the information on the fingerprint modes. We illustrate the application of the Markovian closure to the computation of linear spectra but also to nonlinear spectral response, a relevant experimentally accessible many body coherence witness for which efficient numerically exact calculations in realistic environments are currently lacking.

Excitation Dynamics in Chain-Mapped Environments.

The chain mapping of structured environments is a most powerful tool for the simulation of open quantum system dynamics. Once the environmental bosonic or fermionic degrees of freedom are unitarily rearranged into a one dimensional structure, the full power of Density Matrix Renormalization Group (DMRG) can be exploited. Beside resulting in efficient and numerically exact simulations of open quantum systems dynamics, chain mapping provides an unique perspective on the environment: the interaction between the system and the environment creates perturbations that travel along the one dimensional environment at a finite speed, thus providing a natural notion of light-, or causal-, cone. In this work we investigate the transport of excitations in a chain-mapped bosonic environment. In particular, we explore the relation between the environmental spectral density shape, parameters and temperature, and the dynamics of excitations along the corresponding linear chains of quantum harmonic oscillators. Our analysis unveils fundamental features of the environment evolution, such as localization, percolation and the onset of stationary currents.

Noisy Quantum Metrology Enhanced by Continuous Nondemolition Measurement.

We show that continuous quantum nondemolition (QND) measurement of an atomic ensemble is able to improve the precision of frequency estimation even in the presence of independent dephasing acting on each atom. We numerically simulate the dynamics of an ensemble with up to N=150 atoms initially prepared in a (classical) spin coherent state, and we show that, thanks to the spin squeezing dynamically generated by the measurement, the information obtainable from the continuous photocurrent scales superclassically with respect to the number of atoms N. We provide evidence that such superclassical scaling holds for different values of dephasing and monitoring efficiency. We moreover calculate the extra information obtainable via a final strong measurement on the conditional states generated during the dynamics and show that the corresponding ultimate limit is nearly achieved via a projective measurement of the spin-squeezed collective spin operator. We also briefly discuss the difference between our protocol and standard estimation schemes, where the state preparation time is neglected.

Probabilistic low-rank factorization accelerates tensor network simulations of critical quantum many-body ground states.

We provide evidence that randomized low-rank factorization is a powerful tool for the determination of the ground-state properties of low-dimensional lattice Hamiltonians through tensor network techniques. In particular, we show that randomized matrix factorization outperforms truncated singular value decomposition based on state-of-the-art deterministic routines in time-evolving block decimation (TEBD)- and density matrix renormalization group (DMRG)-style simulations, even when the system under study gets close to a phase transition: We report linear speedups in the bond or local dimension of up to 24 times in quasi-two-dimensional cylindrical systems.

Quantum state transfer via Bloch oscillations.

The realization of reliable quantum channels, able to transfer a quantum state with high fidelity, is a fundamental step in the construction of scalable quantum devices. In this paper we describe a transmission scheme based on the genuinely quantum effect known as Bloch oscillations. The proposed protocol makes it possible to carry a quantum state over different distances with a minimal engineering of the transmission medium and can be implemented and verified on current quantum technology hardware.

Graphics processing units accelerated semiclassical initial value representation molecular dynamics.

This paper presents a Graphics Processing Units (GPUs) implementation of the Semiclassical Initial Value Representation (SC-IVR) propagator for vibrational molecular spectroscopy calculations. The time-averaging formulation of the SC-IVR for power spectrum calculations is employed. Details about the GPU implementation of the semiclassical code are provided. Four molecules with an increasing number of atoms are considered and the GPU-calculated vibrational frequencies perfectly match the benchmark values. The computational time scaling of two GPUs (NVIDIA Tesla C2075 and Kepler K20), respectively, versus two CPUs (Intel Core i5 and Intel Xeon E5-2687W) and the critical issues related to the GPU implementation are discussed. The resulting reduction in computational time and power consumption is significant and semiclassical GPU calculations are shown to be environment friendly.