相关论文: High-throughput electronic band structure calculat…

Complex band structure generalizes conventional band structure by also considering wavevectors with complex components. In this way, complex band structure describes both the bulk-propagating states from conventional band structure and the…

As the multiplexing power of spectroscopic instruments increases, so does the need for automated analysis. In practice, the bottleneck for speed is the calculation of model spectra to evaluate the likelihood of candidate parameters. This…

The bandgap and band bowing parameter of semiconductor alloys are calculated with a fast and realistic approach. The method is a dielectric scaling approximation that is based on a scissor approximation. It adds an energy shift to the…

Crystal structure prediction is a long-standing challenge in materials science, with most data-driven methods developed for inorganic systems. This leaves an important gap for organic crystals, which are central to pharmaceuticals,…

Optical flow estimation is a fundamental and long-standing visual task. In this work, we present a novel method, dubbed HMAFlow, to improve optical flow estimation in challenging scenes, particularly those involving small objects. The…

The LDA+DMFT method is a very powerful tool for gaining insight into the physics of strongly correlated materials. It combines traditional ab-initio density-functional techniques with the dynamical mean-field theory. The core aspects of the…

Determination of the symmetry profile of structures is a persistent challenge in materials science. Results often vary amongst standard packages, hindering autonomous materials development by requiring continuous user attention and educated…

High-speed boundary-layer transition is extremely sensitive to the free-stream disturbances which are often uncertain. This uncertainty compromises predictions of models and simulations. To enhance the fidelity of simulations, we directly…

We present ChannelFlow-Tools, a configuration-driven framework that standardizes the end-to-end path from programmatic CAD solid generation to ML-ready inputs and targets for 3D obstructed channel flows. The toolchain integrates geometry…

This paper presents LatencyScope, a mathematical framework for computing one-way uplink and downlink latency in fifth-generation radio access networks across diverse system configurations. LatencyScope models latency sources across the…

As the services and requirements of next-generation wireless networks become increasingly diversified, it is estimated that the current frequency bands of mobile network operators (MNOs) will be unable to cope with the immensity of…

Flat electronic bands enhance electron-electron interactions and give rise to correlated states such as unconventional superconductivity or fractional topological phases. However, most current efforts towards flat-band materials discovery…

Web Services provide interoperable mechanisms for describing, locating and invoking services over the Internet; composition further enables to build complex services out of simpler ones for complex B2B applications. While current studies on…

The combination of LLM agents with external tools enables models to solve complex tasks beyond their knowledge base. Human-designed tools are inflexible and restricted to solutions within the scope of pre-existing tools created by experts.…

Hybrid intra-data centre networks, with optical and electrical capabilities, are attracting research interest in recent years. This is attributed to the emergence of new bandwidth greedy applications and novel computing paradigms. A key…

Audio Super-Resolution is a set of techniques aimed at high-quality estimation of the given signal as if it would be sampled with higher sample rate. Among suggested methods there are diffusion and flow models (which are considered slower),…

High-intensity focused ultrasound (HIFU) is a promising treatment modality for the non-invasive ablation of pathogenic tissue in many organs. Optimal treatment planning strategies based on high-performance computing methods are expected to…

Optimizing data movements is becoming one of the biggest challenges in heterogeneous computing to cope with data deluge and, consequently, big data applications. When creating specialized accelerators, modern high-level synthesis (HLS)…

We present a structure-adaptive topology optimization framework for engineering photonic band gaps with TM-polarized sources based on computation of the photonic density of states with a uniform source substituting for the standard Dirac…

This article discusses a framework to support the design and end-to-end planning of fixed millimeter-wave networks. Compared to traditional techniques, the framework allows an organization to quickly plan a deployment in a cost-effective…