Related papers: Coherent State Mapping Ring-Polymer Molecular Dyna…
We present an accelerated ``on-the-fly'' coupled-cluster path-integral molecular dynamics (PIMD) method for finite-temperature simulations in which electron correlation and nuclear quantum effects are treated simultaneously. The approach is…
Peridynamics (PD) is a non-local continuum formulation. The original version of PD was restricted to bond-based interactions. Bond-based PD is geometrically exact and its kinematics are similar to classical continuum mechanics (CCM).…
Dynamical maps describe general transformations of the state of a physical system, and their iteration can be interpreted as generating a discrete time evolution. Prime examples include classical nonlinear systems undergoing transitions to…
Precise quantum control and measurement of several harmonic oscillators, such as the modes of the electromagnetic field in a cavity or of mechanical motion, are key for their use as quantum platforms. The motional modes of trapped ions can…
We propose a new mode of operation of an electron pump consisting of two weakly coupled quantum dots connected to reservoirs. An electron can be transferred within the device at zero bias voltage when it is subjected to electromagnetic…
A dynamic mode decomposition (DMD) based reduced-order model (ROM) is developed for tracking, detection, and prediction of kinetic plasma behavior. DMD is applied to the high-fidelity kinetic plasma model based on the electromagnetic…
Recently, the study of non-Hermitian physics has attracted considerable attention. The modified bulk-boundary correspondence has been proposed to understand topological edge states in non-Hermitian static systems. Here we report a new…
We present improvements of a recently introduced numerical method [Arrigoni etal, Phys. Rev. Lett. 110, 086403 (2013)] to compute steady state properties of strongly correlated electronic systems out of equilibrium. The method can be…
We describe a new path integral approach to strongly correlated fermion systems, considering the Hubbard model as a specific example. Our approach is based on the introduction of spin-particle-hole coherent states which generalize the…
In this paper, we introduce a new stochastic process of $N$ interacting particles on the line that evolve via Dyson Brownian motion (DBM) with Dyson's index $\beta > 0$ and undergo simultaneous resetting to their initial positions at a…
The fundamental non-Hermitian nature of the forms of coupled-cluster (CC) theory widely used in quantum chemistry has usually been viewed as a negative, but the present letter shows how this can be used to advantage. Specifically, the…
Calculation of Raman scattering from molecular dynamics (MD) simulations requires accurate modeling of the evolution of the electronic polarizability of the system along its MD trajectory. For large systems, this necessitates the use of…
In this work, we consider a parameterized Ising model with long-range symmetric pairwise interactions on a network of spin $\frac{1}{2}$ particles. The system is designed with symmetric dynamics, allowing for the reduction of the state…
DL_POLY Quantum 2.1 is introduced here as a highly modular, sustainable, and scalable general-purpose molecular dynamics (MD) simulation software for large-scale long-time MD simulations of condensed phase and interfacial systems with the…
We introduce a unified approach to nuclear bound and continuum states based on the coupling of the no-core shell model (NCSM), a bound-state technique, with the no-core shell model/resonating group method (NCSM/RGM), a nuclear scattering…
We consider a two-level system such as a two-level atom, interacting with a cavity field mode in the rotating wave approximation, when the atomic transition frequency or the field mode frequency is periodically driven in time. We show that…
We propose a new approach to the measurement of a single spin state, based on nuclear magnetic resonance (NMR) techniques and inspired by the coherent control over many-body systems envisaged by Quantum Information Processing (QIP). A…
We design a quantum molecular dynamics method for strongly correlated electron metals. The strong electronic correlation effects are treated within a real-space version of the Gutzwiller variational approximation (GA), which is suitable for…
We consider quantum dynamics of the order parameter in the discrete pairing model (Richardson model) in thermodynamic equilibrium. The integrable Richardson Hamiltonian is represented as a direct sum of Hamiltonians acting in different…
Mixing single and triple fermions an exact killing operator of the Coupled Cluster Doubles (CCD) wave function with good symmetry was found in \cite{Tohy13}. Using these operators with the equation of motion (EOM) method the so-called…