相关论文: Validating and Implementing Modified Filinov Phase…

The semiclassical Double Herman-Kluk Initial Value Representation is an accurate approach to computing quantum real time correlation functions, but its applications are limited by the need to evaluate an oscillatory integral. In previous…

Mixed Quantum Classical (MQC)-IVR is a recently introduced semiclassical framework that allows for selective quantization of the modes of a complex system. In the quantum limit, MQC reproduces the semiclassical Double Herman-Kluk IVR…

We extend the Mixed Quantum-Classical Initial Value Representation (MQC-IVR), a semiclassical method for computing real-time correlation functions, to electronically nonadiabatic systems using the Meyer-Miller-Stock-Thoss (MMST) Hamiltonian…

Semiclassical approximations for quantum dynamic simulations in complex chemical systems range from rigorously accurate methods that are computationally expensive to methods that exhibit near-classical scaling with system size but are…

A method for carrying out semiclassical initial value representation calculations using first-principles molecular dynamics (FP-SC-IVR) is presented. This method can extract the full vibrational power spectrum of carbon dioxide from a…

We present MPM-QIR, a variational-quantum-circuit (VQC) framework for classical image compression and representation whose core objective is to achieve equal or better reconstruction quality at a lower Parameter Compression Ratio (PCR). The…

In this work we introduce a distorted wave method, based on the Initial Value Representation (IVR) approach of the quantum evolution operator, in order to improve the semiclassical description of rainbow effects in diffraction patterns…

Iterative Refinement (IR) is a classical computing technique for obtaining highly precise solutions to linear systems of equations, as well as linear optimization problems. In this paper, motivated by the limited precision of quantum…

Monte Carlo integration is a widely used numerical method for approximating integrals, which is often computationally expensive. In recent years, quantum computing has shown promise for speeding up Monte Carlo integration, and several…

Quantum sensors driven into the quantum chaotic regime can have dramatically enhanced sensitivity, which, however, depends intricately on the details of the underlying classical phase space. Here, we develop an accurate semiclassical…

The use of mid-circuit measurement and qubit reset within quantum programs has been introduced recently and several applications demonstrated that perform conditional branching based on these measurements. In this work, we go a step further…

We introduce and discuss a hybrid quantum-mechanics molecular-mechanics (QM-MM) approach for Car-Parrinello DFT simulations with pseudopotentials and planewaves basis, designed for the treatment of periodic systems. In this implementation…

Quantum control protocols are typically devised in the time domain, leaving their spectral behavior to emerge only a posteriori. Here, we invert this paradigm. Starting from a target frequency-domain filter, we employ the…

We present an interface of the wavefunction-based quantum-chemical software CFOUR to the multiscale modeling framework MiMiC. Electrostatic embedding of the quantummechanical (QM) part is achieved by analytic evaluation of one-electron…

This paper develops a robust control synthesis method for uncertain linear systems with input saturation in the framework of integral quadratic constraints (IQCs). The system is reformulated as a linear fractional representation (LFR) that…

In this contribution, we propose a new computationally efficient method to combine Variational Inference (VI) with Markov Chain Monte Carlo (MCMC). This approach can be used with generic MCMC kernels, but is especially well suited to…

A prior-guided deep learning (DL) based interference mitigation approach is proposed for frequency modulated continuous wave (FMCW) radars. In this paper, the interference mitigation problem is tackled as a regression problem. Considering…

We propose a novel hybrid quantum-classical framework that integrates the Quantum Approximate Optimization Algorithm (QAOA) and Quantum-enhanced Markov Chain Monte Carlo (QMCMC) with variational particle filters to tackle the computational…

Quasi-periodic solutions with multiple base frequencies exhibit the feature of $2\pi$-periodicity with respect to each of the hyper-time variables. However, it remains a challenge work, due to the lack of effective solution methods, to…

We present algorithm MIQCR-CB that is an advancement of method MIQCR~(Billionnet, Elloumi and Lambert, 2012). MIQCR is a method for solving mixed-integer quadratic programs and works in two phases: the first phase determines an equivalent…