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Integrated electrical and photonic circuits (PIC) operating at cryogenic temperatures are fundamental building blocks required to achieve scalable quantum computing, and cryogenic computing technologies. Optical interconnects offer better…
A Moment Tensor Potential (MTP) has been developed for the Cu-Ag binary alloy and its accuracy, transferability, and thermodynamic fidelity evaluated. The model was trained on a diverse dataset encompassing solid, liquid, and interfacial…
As "a new frontier in evolutionary computation research", evolutionary transfer optimization(ETO) will overcome the traditional paradigm of zero reuse of related experience and knowledge from solved past problems in researches of…
In this paper we present the parameterization of a new interionic potential for stoichiometric, reduced and doped CeO$_2$. We use a dipole-polarizable potential (DIPPIM) and optimize its parameters by fitting them to a series of DFT…
Amorphous oxide semiconductors are gaining interest for logic and memory transistors compatible with low-temperature fabrication. However, their low thermal conductivity and heterogeneous interfaces suggest that their performance may be…
The intermittency of solar and wind power can be addressed by integrating them with Solid Oxide Cells (SOCs). This study delves into the transient characteristics of SOCs and their dependence on dynamic heat and mass transfer processes.…
A linear regression-based machine learned interatomic potential (MLIP) was developed for the silicon-carbon system. The MLIP was predominantly trained on structures discovered through a genetic algorithm, encompassing the entire…
Electrically tunable metasurfaces leveraging the strong Pockel's effect in barium titanate (BaTiO$_3$ or BTO) are a promising platform for reconfigurable free-space optical devices. However, the high cost, limited scalability, and…
Coherent Tunneling Adiabatic Passage (CTAP) has been proposed as a long-range physical qubit transport mechanism in solid-state quantum computing architectures. Although the mechanism can be implemented in either a chain of quantum dots or…
The oxide-metal-oxide architecture is a promising approach for the development of the high-performance indium-free transparent electrode (TE), which is a key component of various optoelectronic applications such as solar cells, organic…
$\mathrm{Ga}_{2}\mathrm{O}_{3}$ is a wide-bandgap semiconductor of emergent importance for applications in electronics and optoelectronics. However, vital information of the properties of complex coexisting $\mathrm{Ga}_{2}\mathrm{O}_{3}$…
This paper presents synthesis methods and multifunctional properties of porous Co3O4 nanoplatelets and nanowires. Surprisingly, significantly superior Li-ion battery performance compared to other cathode materials is exhibited in the same…
Using the strongly constrained and appropriately normed (SCAN) and SCAN+U approximations for describing electron exchange-correlation (XC) within density functional theory, we investigate the oxidation energetics, lattice constants, and…
Metal oxides with strong nonlinear optical properties and wide transparency window are key materials for the development of compact and efficient photonic integrated circuits used for electro-optic modulators and entangled photon sources.…
As titanium is a highly utilized metal for structural light-weighting, its phases, transformation pathways (transition states), and structures have scientific and industrial importance. Impurities, pressure, and temperature control the…
Topology optimization (TO) has experienced a dramatic development over the last decades aided by the arising of metamaterials and additive manufacturing (AM) techniques, and it is intended to achieve the current and future challenges. In…
Large time series models (LTMs) have emerged as powerful tools for universal forecasting, yet they often struggle with the inherent diversity and nonstationarity of real-world time series data, leading to an unsatisfactory trade-off between…
In this work we introduce the use of TiN/Ti2 N layers as a back contact for lifted-off membranes of anodic Ta3N5 nanotube layers. In photoelectrochemical H2 generation experiments under simulated AM 1.5G light, shift of the onset potential…
A new material characterization technique is emerging for the transmission electron microscope (TEM). Using electron energy-loss spectroscopy, real space mappings of the underlying electronic transitions in the sample, so called orbital…
Crystal structure prediction (CSP) is emerging as a powerful method for the computational design of metal-organic frameworks (MOFs). In this article we employ CSP to perform high-throughput exploration of the crystal energy landscape of…