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An approach is presented for implicit time integration in computations of red blood cell flow by a spectral boundary integral method. The flow of a red cell in ambient fluid is represented as a boundary integral equation (BIE), whose…
Vibrational spectroscopy is a key technique to elucidate microscopic structure and dynamics. Without the aid of theoretical approaches, it is however, often difficult to understand such spectra at a microscopic level. Ab initio molecular…
Accurate spectroscopic investigations of the heaviest elements are inherently challenging, due to their short lifetimes and low production yields. Success of such measurements requires both dedicated experimental techniques and strong…
We present a new formulation of the correlated electron-ion dynamics (CEID) scheme, which systematically improves Ehrenfest dynamics by including quantum fluctuations around the mean-field atomic trajectories. We show that the method can…
This letter proposes a lightweight, model-free online diagnostic framework for detecting internal short circuits (ISC) in single lithium-ion cells under dynamic operating conditions. The core of the method lies in computing the first-order…
The ion beam-induced charge (IBIC) analysis of a commercial silicon photodiode configured as a Position Sensitive Detector (PSD) for energetic charged particles is the subject of this report. Although the photodiode is designed for…
The predictive power of the ab initio Bethe-Salpeter equation (BSE) approach, rigorously based on many-body Green's function theory but incorporating information from density functional theory, has already been demonstrated for the optical…
Integrated sensing and communication (ISAC) is a core technology for 6G, and its application to closed-loop sensing, communication, and control (SCC) enables various services. Existing SCC solutions often treat sensing and control…
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…
Achieving stable lithium metal anodes requires control over the solid-electrolyte interphase (SEI) and desolvation kinetics. Here, we develop a unified theoretical framework integrating ion transport, desolvation, charge transfer, and SEI…
When State of Charge, State of Health, and parameters of the Lithium-ion battery are estimated simultaneously, the estimation accuracy is hard to be ensured due to uncertainties in the estimation process. To improve the estimation…
The Ion Beam Induced Charge (IBIC) technique is widely used to characterize the electronic properties of semiconductor materials and devices. Its main advantage over other charge collection microscopies stems in the use of MeV ion probes,…
Vibrational spectroscopy is a cornerstone technique for molecular characterization and offers an ideal target for the computational investigation of molecular materials. Building on previous comprehensive assessments of efficient methods…
The implementation of integrated sensing and communication (ISAC) highly depends on the effective beamforming design exploiting accurate instantaneous channel state information (ICSI). However, channel tracking in ISAC requires large amount…
Modeling lithium-ion battery (LIB) degradation offers significant cost savings and enhances the safety and reliability of electric vehicles (EVs) and battery energy storage systems (BESS). Whilst data-driven methods have received great…
The Ion Beam Induced Charge Collection (IBIC) technique was used to map the charge collection efficiency (CCE) of a 4H-SiC photodetector with coplanar interdigitated Schottky barrier electrodes and a common ohmic contact on the back side.…
The structure and growth of the Solid Electrolyte Interphase (SEI) region between an electrolyte and an electrode is one of the most fundamental, yet less-well understood phenomena in solid-state batteries. We present a parameter-free…
Task-oriented integrated sensing, communication, and computation (ISCC) is a key technology for achieving low-latency edge inference and enabling efficient implementation of artificial intelligence (AI) in industrial cyber-physical systems…
Electrochemical Impedance Spectroscopy (EIS) is a non-invasive technique widely used for understanding charge transfer and charge transport processes in electrochemical systems and devices. Standard approaches for the interpretation of EIS…
Interface science has become a key aspect for fundamental research questions and for the understanding, design and optimization of urgently needed energy and information technologies. As the interface properties change during operation,…