相关论文: Computational discovery of bifunctional organic se…
Modeling the electronic and optical properties of organic semiconductors remains a challenge for theory, despite the remarkable progress achieved in the last three decades. The complexity of these systems, including structural (dis)order…
Transition metal chromophores with earth-abundant transition metals are an important design target for their applications in lighting and non-toxic bioimaging, but their design is challenged by the scarcity of complexes that simultaneously…
Experimental data are the source of understanding matter. However, measurable quantities are limited and theoretically important quantities are sometimes hidden. Nonetheless, recent progress of machine-learning techniques opens…
Organic electrochemical transistors formed by in operando electropolymerization of the semiconducting channel are increasingly becoming recognized as a simple and effective implementation of synapses in neuromorphic hardware. However, very…
Variational quantum algorithms provide a direct, physics-based approach to protein structure prediction, but their accuracy is limited by the coarse resolution of the energy landscapes generated on current noisy devices. We propose a hybrid…
A honeycomb detector consisting of a matrix of 96 closely packed hexagonal cells, each working as a proportional counter with a wire readout, was fabricated and tested at the CERN PS. The cell depth and the radial dimensions of the cell…
Semiconductor quantum photonic circuits can be used to efficiently generate, manipulate, route and exploit non-classical states of light for distributed photon based quantum information technologies. In this article, we review our recent…
Silicon photonics provides a versatile platform for large-scale integration of optical functions, but its weak intrinsic nonlinear response limits the realization of active, intensity-dependent functionalities. Hybrid integration of…
Making solution-cast organic solar cells industrially available generally comes at the cost of significant performance losses compared to device prototypes manufactured under laboratory conditions. Adjusting solvent evaporation kinetics is…
A systematic survey and subsequent research have been made on MoTe2-based n-CdS/p-MoTe2/p+-CGS device in solar cell and photodetector field. The optimization has been established by altering the various properties of each constituent layer…
We present a computational screening of experimental structural repositories for fast Li-ion conductors, with the goal of finding new candidate materials for application as solid-state electrolytes in next-generation batteries. We start…
Chalcogenides, which refer to chalcogen anions, have attracted considerable attention in multiple fields of applications, such as optoelectronics, thermoelectrics, transparent contacts, and thin film transistors. In comparison to oxide…
The increased energy and power density required in modern electronics poses a challenge for designing new dielectric polymer materials with high energy density while maintaining low loss at high applied electric fields. Recently, an…
Molecular discovery within the vast chemical space remains a significant challenge due to the immense number of possible molecules and limited scalability of conventional screening methods. To approach chemical space exploration more…
We present a novel multi-modal bio-sensing platform capable of integrating multiple data streams for use in real-time applications. The system is composed of a central compute module and a companion headset. The compute node collects,…
The active layer microstructure of organic solar cells is critical to efficiency. By studying the photovoltaic properties of organic solar cell's microstructure, it is possible to increase the efficiency of the solar cell. A graph-based…
Polymer packaging plays a crucial role in food preservation but poses major challenges in recycling and environmental persistence. To address the need for sustainable, high-performance alternatives, we employed a polymer informatics…
Recent advancements in quantum photonics have driven significant progress in photonic quantum computing (PQC), addressing challenges in scalability, efficiency, and fault tolerance. Experimental efforts have focused on integrated photonic…
We present a detailed comparison between ONETEP, our linear-scaling density functional method, and the conventional pseudopotential plane wave approach in order to demonstrate its high accuracy. Further comparison with all-electron…
Dielectrics are crucial for technologies like flash memory, CPUs, photovoltaics, and capacitors, but public data on these materials are scarce, restricting research and development. Existing machine learning models have focused on…