相关论文: Nudged-elastic band method with two climbing image…

The twist-bend nematic phase (NTB) is characterized by a conically twisting director and by a dramatic softening of the bend elastic constant before the transition to NTB phase. In the recently found splay nematic phase (NS) the splay…

First-principles and semi-empirical tight binding calculations were performed to understand the adsorption of oxygen on the surface of two dimensional (2D) and zigzag stanene nano-ribbons. The intrinsic spin-orbit interaction is considered…

Deep convolutional neural networks (CNNs) are used for image denoising via automatically mining accurate structure information. However, most of existing CNNs depend on enlarging depth of designed networks to obtain better denoising…

Nonadiabatic molecular dynamics (NAMD) is widely used to describe hot electron relaxation and nonradiative recombination processes, but high computational costs limit its application to large supercells. Here, we implement a nonadiabatic…

Among different topological and related phases of condensed matter, nodal semimetals occupy a special place - the electronic band topology in these materials is related to three-dimensional bulk, rather than to surface, states. A great…

Excited-state methods within the nuclear--electronic orbital (NEO) framework have the potential to capture vibrational, electronic, and vibronic transitions in a single calculation. In the NEO approach, specified nuclei, typically protons,…

The search for ``biologically plausible'' learning algorithms has converged on the idea of representing gradients as activity differences. However, most approaches require a high degree of synchronization (distinct phases during learning)…

In the present work, 3D convolutional neural networks (CNNs) are trained to link random heterogeneous, two-phase materials of arbitrary phase fractions to their elastic macroscale stiffness thus replacing explicit homogenization…

The nitrogen-vacancy (NV) centre in diamond is emerging as a promising platform for solid-state quantum information processing and nanoscale metrology. Of interest in these applications is the manipulation of the NV charge, which can be…

We continue the investigation of kinetic models of a system in contact via stochastic interactions with several spatially homogeneous thermal reservoirs at different temperatures. Considering models different from those investigated in…

In this paper we present an analysis of the physical and chemical conditions of the planetary nebula NGC 40 through spatially-resolved spectroscopic maps. We also introduce a new algorithm --2D_NEB-- based on the well-established IRAF…

Complex materials encompassing different phases of matter can display new photoinduced metastable states differing from those attainable under equilibrium conditions. These states can be realized when energy is injected in the material…

$k$-Nearest Neighbor search on dense vector embeddings ($k$-NN retrieval) from pre-trained embedding models is the predominant retrieval method for text and images, as well as Retrieval-Augmented Generation (RAG) pipelines. In practice,…

In adaptive-bias enhanced sampling methods, a bias potential is added to the system to drive transitions between metastable states. The bias potential is a function of a few collective variables and is gradually modified according to the…

It has become clear in recent years that the configuration space of the nuclear Skyrme model has, in each topological class, many almost degenerate local energy minima and that the number of such minima grows with the degree (or baryon…

Neural Radiance Fields (NeRF) achieves impressive 3D representation learning and novel view synthesis results with high-quality multi-view images as input. However, motion blur in images often occurs in low-light and high-speed motion…

We design specific neural networks (NNs) for the identification of switching nonlinear systems in the state-space form, which explicitly model the switching behavior and address the inherent coupling between system parameters and switching…

The ground state of twist-bend nematic liquid crystals is a heliconical molecular arrangement in which the nematic director precesses uniformly about an axis, making a fixed angle with it. Both precession senses are allowed in the ground…

We report a dynamic light scattering study of the fluctuation modes in a thermotropic liquid crystalline mixture of monomer and dimer compounds that exhibits the twist-bend nematic ($\mathrm{N_{TB}}$) phase. The results reveal a spectrum of…

The vortex electronic structure in the multiband superconductor NbSe2 is studied by means of Scanning Tunneling Spectroscopy (STS) using a superconducting tip. The use of a superconducting tip (Pb) as a probe provides an enhancement of the…