相关论文: Excited state, non-adiabatic dynamics of large pho…
Diffractive optical neural networks (DONNs) have attracted lots of attention as they bring significant advantages in terms of power efficiency, parallelism, and computational speed compared with conventional deep neural networks (DNNs),…
All-optical switches are introduced which are based on deoxyribonucleic acid (DNA) in the form of electrospun fibers, where DNA is semi-intercalated with a push-pull, luminescent nonlinear pyrazoline derivative. Optical birefringence is…
An accurate treatment of the structures and dynamics that lead to enhanced chemical reactivity in enzymes requires explicit treatment of both electronic and nuclear quantum effects. The former can be captured in ab initio molecular dynamics…
Conventional model quantization methods use a fixed quantization scheme to different data samples, which ignores the inherent "recognition difficulty" differences between various samples. We propose to feed different data samples with…
Stimulated Raman Adiabatic Passage, a very efficient technique for manipulating a quantum system based on the adiabatic theorem, is analyzed in the case where the manipulated physical system is interacting with a spin bath. Exploitation of…
Understanding and prediction of the chemical reactions are fundamental demanding in the study of many complex chemical systems. Reactive molecular dynamics (MD) simulation has been widely used for this purpose as it can offer atomic details…
The Landau--Zener (LZ) type classical-trajectory surface-hopping algorithm is applied to the nonadiabatic nuclear dynamics of the ammonia cation after photoionization of the ground-state neutral molecule to the excited states of the cation.…
In recent years, plasmonic nanocavities have emerged as powerful tools for controlling and enhancing light-matter interactions at the nanoscale. This study explores the role of plasmonic nanocavities in manipulating nonadiabatic dynamics,…
Deep learning models have been successfully deployed for a diverse array of image-based plant phenotyping applications including disease detection and classification. However, successful deployment of supervised deep learning models…
In modern astronomy, the quantity of data collected has vastly exceeded the capacity for manual analysis, necessitating the use of advanced artificial intelligence (AI) techniques to assist scientists with the most labor-intensive tasks. AI…
Deep neural advancements have recently brought remarkable image synthesis performance to the field of image inpainting. The adaptation of generative adversarial networks (GAN) in particular has accelerated significant progress in…
Boltzmann sampling is a central component of many computational frameworks, including numerous algorithms in machine learning. Although quantum annealers have been investigated as potential fast Boltzmann samplers, their dependence on…
The combined quantum electron-nuclear dynamics is often associated with the Born-Huang expansion of the molecular wave function and the appearance of nonadiabatic effects as a perturbation. On the other hand, native multicomponent…
Existing adaptive bias techniques, which seek to estimate free energies and physical properties from molecular simulations, are limited by their reliance on fixed kernels or basis sets which hinder their ability to efficiently conform to…
We study effects of nonadiabatic couplings in a model of a diatomic molecule in the context of attosecond transient absorption spectroscopy. By using a model system consisting of four diabatic electronic states and with a variable strength…
The fast and accessible verification of nonclassical resources is an indispensable step towards a broad utilization of continuous-variable quantum technologies. Here, we use machine learning methods for the identification of nonclassicality…
Combinatorial optimization problems are crucial for widespread applications but remain difficult to solve on a large scale with conventional hardware. Novel optical platforms, known as coherent or photonic Ising machines, are attracting…
Nonadiabatic molecular dynamics simulations aim to describe the coupled electron-nuclear dynamics of molecules in excited electronic states. These simulations have been applied to understand a plethora of photochemical and photophysical…
It is well established that electronic conical intersections (CIs) in molecular systems can be induced by laser light, even in diatomic molecules. The emergence of these light-induced degeneracies leads to strong coupling among electronic,…
As an effective way to integrate the information contained in multiple medical images under different modalities, medical image synthesis and fusion have emerged in various clinical applications such as disease diagnosis and treatment…