Related papers: Predicting molecular vibronic spectra using time-d…
Vibrational spectroscopy is key for probing the interplay between the structure and dynamics of aqueous systems. In order to map different regions of experimental spectra to the microscopic structure of a system, it is important to combine…
Quantum signal processing (QSP), which enables systematic polynomial transformations on quantum data through sequences of qubit rotations, has emerged as a fundamental building block for quantum algorithms and data re-uploading quantum…
We are concerned with numerical simulations of quantum optical circuits under certain realistic conditions, specifically that photon quantum states are not perfectly indistinguishable. The partial photon distinguishability presents a…
Various constraints concerning control fields can be imposed in the realistic implementations of quantum control systems. One of the most important is the restriction on the frequency spectrum of acceptable control parameters. It is…
Precise spectroscopy of oscillating fields plays significant roles in many fields. Here, we propose an experimentally feasible scheme to measure the frequency of a fast-oscillating field using a single-qubit sensor. By invoking a stable…
We introduce a variational hybrid classical-quantum algorithm to simulate the Lindblad master equation and its adjoint for time-evolving Markovian open quantum systems and quantum observables. Our method is based on a direct representation…
Quantum computation promises to provide substantial speedups in many practical applications with a particularly exciting one being the simulation of quantum many-body systems. Adiabatic state preparation (ASP) is one way that quantum…
The key to optical analogy to a multi-particle quantum system is the scalable property. Optical elds modulated with pseudorandom phase sequences is an interesting solution. By utilizing the properties of pseudorandom sequences, mixing…
Multi-molecular excited states accompanied by an intra- and inter-molecular geometric relaxation are commonly encountered in optical and electrooptical studies and applications of organic semiconductors as, for example excimers or charge…
Quantum simulation offers a route to study open-system molecular dynamics in non-perturbative regimes by programming the interactions among electronic, vibrational, and environmental degrees of freedom on similar energy scales. Trapped-ion…
A spectral mixture (SM) kernel is a flexible kernel used to model any stationary covariance function. Although it is useful in modeling data, the learning of the SM kernel is generally difficult because optimizing a large number of…
The effectiveness of a new algorithm, parallel tempering, is studied for numerical simulations of biological molecules. These molecules suffer from a rough energy landscape. The resulting slowing down in numerical simulations is overcome by…
A general theory of electronic excitations in aggregates of molecules coupled to intramolecular vibrations and the harmonic environment is developed for simulation of the third-order nonlinear spectroscopy signals. The model is applied in…
A new method is proposed for determining the ground state wave function of a quantum many-body system on a quantum computer, without requiring an initial trial wave function that has good overlap with the true ground state. The technique of…
Quantum machine learning with quantum kernels for classification problems is a growing area of research. Recently, quantum kernel alignment techniques that parameterise the kernel have been developed, allowing the kernel to be trained and…
The speed and the versatility of today's computers open up new opportunities to simulate complex biological systems. Here we review a computational approach recently proposed by us to model large tumor cell populations and spheroids, and we…
We explore how the fundamental problems in quantum molecular dynamics can be modelled using classical simulators (emulators) of quantum computers and the actual quantum hardware available to us today. The list of problems we tackle includes…
Photo-induced processes are fundamental in nature, but accurate simulations are seriously limited by the cost of the underlying quantum chemical calculations, hampering their application for long time scales. Here we introduce a method…
Significance: Voltage imaging microscopy has emerged as a powerful tool to investigate neural activity both in vivo and in vitro. Various imaging approaches have been developed, including point-scanning, line-scanning and wide-field…
Two-dimensional electronic spectroscopy provides information on coupling and energy transfer between excited states on ultrafast timescales. Only recently, incoherent fluorescence detection has made it possible to combine this method with…