相关论文: Excited state, non-adiabatic dynamics of large pho…
The comprehension of nonadiabatic dynamics in polyatomic systems relies heavily on the simultaneous advancements in theoretical and experimental domains. The gas-phase electron diffraction (GUED) technique has attracted widespread attention…
The mechanical properties of azobenzene-containing polymer films are statistically measured by instrumented nanoindentation experiment in the dark and under illumination in the absorption band of the azobenzene molecules, with special…
Obtaining compact and discriminative features is one of the major challenges in many of the real-world image classification tasks such as face verification and object recognition. One possible approach is to represent input image on the…
We propose an excited-state molecular dynamics simulation method based on variational quantum algorithms at a computational cost comparable to that of ground-state simulations. We utilize the feature that excited states can be obtained as…
The celebrated Lambert-Beer law of light absorption in photochromic media is only valid at low intensities of incident light and low concentration of chromophore. Here we address the generic problem of photo-absorption dynamics,…
At present, a variety of image-based diagnostics are used in particle accelerator systems. Often times, these are viewed by a human operator who then makes appropriate adjustments to the machine. Given recent advances in using convolutional…
Nystagmus patients with photosensitivity face significant daily challenges due to involuntary eye movements exacerbated by environmental brightness conditions. Current assistive solutions are limited to symptomatic treatments without…
Domain adaptation (DA) techniques have the potential in machine learning to alleviate distribution differences between training and test sets by leveraging information from source domains. In image classification, most advances in DA have…
Staining is critical to cell imaging and medical diagnosis, which is expensive, time-consuming, labor-intensive, and causes irreversible changes to cell tissues. Recent advances in deep learning enabled digital staining via supervised model…
The ultrafast nonadiabatic internal conversion in azomethane is explored by the on-the-fly trajectory surface-hopping simulations of photoinduced dynamics and femtosecond transient absorption (TA) pump-probe (PP) spectra at three…
Streaking of photoelectrons has long been used for the temporal characterization of attosecond extreme ultraviolet pulses. When the time-resolved photoelectrons originate from a coherent superposition of electronic states, they carry an…
Diazirines and diazo compounds are widely employed as photoreactive precursors for generating carbenes, key intermediates in chemical biology and materials science. However, computationally modeling their reaction pathways remains…
Numerous fake images spread on social media today and can severely jeopardize the credibility of online content to public. In this paper, we employ deep networks to learn distinct fake image related features. In contrast to authentic…
Benzophenone serves as a prototype chromophore for studying the photochemistry of aromatic ketones, with applications ranging from biochemistry to organic light-emitting diodes. In particular, its intersystem crossing from the first singlet…
Accurate and efficient calculations of absorption spectra of molecules and materials are essential for the understanding and rational design of broad classes of systems. Solving the Bethe-Salpeter equation (BSE) for electron-hole pairs…
In recent years, machine vision has taken huge leaps and is now becoming an integral part of various intelligent systems, including autonomous vehicles, robotics, and many others. Usually, visual information is captured by a frame-based…
Non-adiabatic molecular dynamics (NAMD) simulations have become an indispensable tool for investigating excited-state dynamics in solids. In this work, we propose a general framework, N$^2$AMD which employs an E(3)-equivariant deep neural…
Maxwell's equations govern light propagation and its interaction with matter. Therefore, the solution of Maxwell's equations using computational electromagnetic simulations plays a critical role in understanding light-matter interaction and…
The new era of artificial intelligence demands large-scale ultrafast hardware for machine learning. Optical artificial neural networks process classical and quantum information at the speed of light, and are compatible with silicon…
We use a network of molecularly linked gold nanoparticles (NPSAN: nanoparticles self-assembled network) to demonstrate the electrical detection (conductance variation) of a plasmon-induced isomerization (PII) of azobenzene derivatives…