相关论文: Time Dependent Adaptive Configuration Interaction …
Current Physical AI (PAI) relies heavily on closed-loop visual-servoing pipelines, whose perception and planning stages may become computationally intensive onboard due to complex models embedded on robots. In practice, offloading the…
Time-dependent Hartree-Fock (TDHF) is one of the fundamental post-Hartree-Fock (HF) methods to describe excited states. In its Tamm-Dancoff form, equivalent to Configuration Interaction Singles, it is still widely used and particularly…
We investigate the modeling and simulation of ionic transport and charge conservation in lithium-ion batteries (LIBs) at the microscale. It is a multiphysics problem that involves a wide range of time scales. The associated computational…
This research demonstrates analytical time-dependent non-equilibrium green function (TD-NEGF) algorithms to investigate dynamical functionalities of quantum devices, especially for photon-assisted transports. Together with the lumped…
A large number of simulation models have been proposed over the years to mimic the electrical behaviour of memristive devices. The models are based either on sophisticated mathematical formulations that do not account for physical and…
Recently, Transformers have gained significant popularity in image restoration tasks such as image super-resolution and denoising, owing to their superior performance. However, balancing performance and computational burden remains a…
We report a computational strategy to obtain the charges of individual dielectric particles from experimental observation of their interactions as a function of time. This strategy uses evolutionary optimization to minimize the difference…
Emerging from the pairwise attention in conventional Transformers, there is a growing interest in sparse attention mechanisms that align more closely with localized, contextual learning in the biological brain. Existing studies such as the…
With the integration of connected devices, artificial intelligence, and heterogeneous networks in IoT-driven cyber-physical systems, our society is evolving as a smart, automated, and connected community. In such dynamic and distributed…
Ab initio molecular dynamics (AIMD) with hybrid density functionals and plane wave basis is computationally expensive due to the high computational cost of exact exchange energy evaluation. Recently, we proposed a strategy to combine…
We present a novel theoretical scheme for orbital relaxation in configuration interaction singles (CIS) based on a perturbative treatment of its electronic Hessian, whose analytical derivation is also established in this work. The proposed…
In the pursuit of accurate descriptions of strongly correlated quantum many-body systems, dynamical mean-field theory (DMFT) has been an invaluable tool for elucidating the spectral properties and quantum phases of both phenomenological…
Time-critical control applications typically pose stringent connectivity requirements for communication networks. The imperfections associated with the wireless medium such as packet losses, synchronization errors, and varying delays have a…
Accurate traffic forecasting is essential for intelligent transportation systems, supporting a wide range of real-world applications. However, it remains challenging due to two key factors:~(1) Traffic series contain heterogeneous temporal…
This paper presents a novel centralized, variational data assimilation approach for calibrating transient dynamic models in electrical power systems, focusing on load model parameters. With the increasing importance of inverter-based…
Ultrafast, time-resolved spectroscopies enable the direct observation of non-equilibrium processes in condensed-phase systems and have revealed key insights into energy transport, hydrogen-bond dynamics, and vibrational coupling. While ab…
To support the adoption of active disturbance rejection control (ADRC) in industrial practice, this article aims at improving both understanding and implementation of ADRC using traditional means, in particular via transfer functions and a…
Time-dependent multiphysics interactions that drive the energy transfer in electromechanical systems are poorly understood. We probe dielectric barrier discharge (DBD) with an external DC-augmented (DCA) field to reveal new mechanistic…
A new method to calculate spectroscopic properties of deformed nuclei is proposed: configuration interaction on top of projected density functional theory (CI-PDFT). The general concept of this approach is discussed in the framework of…
Large-scale deep learning models impose substantial communication overh ead in distributed training, particularly in bandwidth-constrained or heterogeneous clo ud-edge environments. Conventional synchronous or fixed-compression techniques o…