相关论文: Data-Driven Discovery of Molecular Photoswitches w…
Techniques for coherent multidimensional optical spectroscopy have been developed and utilised to understand many different processes, including energy transfer in photosynthesis and many-body effects in semiconductor nanostructures.…
To accomplish relatively complex tasks, in Internet of Bio-Nano Things (IoBNT), information collected by different nano-machines (NMs) is usually sent via multiple-access channels to fusion centers (FCs) for further processing. Relying on…
Nanophotonic devices excel at confining light into intense hot spots of the electromagnetic near fields, creating unprecedented opportunities for light-matter coupling and surface-enhanced sensing. Recently, all-dielectric metasurfaces with…
Rational design of interface passivators for perovskite solar cells is hindered by the entanglement of intrinsic molecular efficacy with extrinsic platform-dependent performance - a confounding factor that obscures true chemical advances.…
Molecular systems containing donor-bridge-acceptor sites or molecular antennas constitute promising candidates for organic photovoltaic device implementation. Photo-induced electron transfer in multi-chromophore molecular systems is defined…
Early approaches to multiple-output Gaussian processes (MOGPs) relied on linear combinations of independent, latent, single-output Gaussian processes (GPs). This resulted in cross-covariance functions with limited parametric interpretation,…
With the advent of artificial intelligence and machine learning, various domains of science and engineering communities have leveraged data-driven surrogates to model complex systems through fusing numerous sources of information (data)…
The use of Gaussian processes (GPs) as models for astronomical time series datasets has recently become almost ubiquitous, given their ease of use and flexibility. GPs excel in particular at marginalization over the stellar signal in cases…
We report the optical absorption characteristics and the photocurrent spectra for large-area molecular junctions containing different molecular structures and thicknesses. Through experimental assessment of the optical absorption of…
Electro-optic modulation is a key function for data communication. Given the vast amount of data handled, understanding the intricate physics and trade-offs of modulators on-chip allows revealing performance regimes not explored yet. Here…
Multi-output Gaussian processes (MOGPs) are an extension of Gaussian Processes (GPs) for predicting multiple output variables (also called channels, tasks) simultaneously. In this paper we use the convolution theorem to design a new kernel…
We develop and implement a Gaussian approach to calculate partial cross-sections and asymmetry parameters for molecular photoionization. Optimal sets of complex Gaussian-type orbitals (cGTOs) are first obtained by non-linear optimization,…
Microfading Spectrometry (MFS) is a method for assessing light sensitivity color (spectral) variations of cultural heritage objects. The MFS technique provides measurements of the surface under study, where each point of the surface gives…
With advances in scientific computing and mathematical modeling, complex scientific phenomena such as galaxy formations and rocket propulsion can now be reliably simulated. Such simulations can however be very time-intensive, requiring…
In decision-making systems, it is important to have classifiers that have calibrated uncertainties, with an optimisation objective that can be used for automated model selection and training. Gaussian processes (GPs) provide uncertainty…
Photoinduced electronic transitions are complex quantum-mechanical processes where electrons move between energy levels due to light absorption. This induces dynamics in electronic structure and nuclear geometry, driving important physical…
In this letter, we consider a 3D molecular communication via diffusion system (MCvDS) with a single point transmitter and multiple fully-absorbing spherical receivers whose centers are distributed as a Poisson point process (PPP) in the…
Angular data are commonly encountered in settings with a directional or orientational component. Regressing an angular response on real-valued features requires intrinsically capturing the circular or spherical manifold the data lie on, or…
The efficiency of photo-conductive switches, which continue to be used for the generation and detection of THz waves, has been overlooked for a long time. The so far 'optics-dominated' devices are making their way through to new and…
Diketopyrrolopyrroles are a popular class of electron-withdrawing unit in optoelectronic materials. When combined with electron donating side-chain functional groups such as thiophenes, they form a very broad class of donor-acceptor…