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Amorphous molecular solids offer a promising alternative to inorganic semiconductors, owing to their mechanical flexibility and solution processability. The packing structure of these materials plays a crucial role in determining their…
Scientific discovery still relies heavily on the manual efforts of individual researchers, leading to limited exploration, redundant trials, and reduced reproducibility. Human-participant data analysis competitions generate diverse…
The development of machine learned potentials for catalyst discovery has predominantly been focused on very specific chemistries and material compositions. While effective in interpolating between available materials, these approaches…
Optoionics, a promising new field that aims at controlling ion dynamics using light, links photovoltaic power generation with electrochemical charge storage. This has the potential to drive and accelerate the energy revolution by utilizing…
Ternary organic solar cells (TOSC) are currently under intensive investigation, recently reaching a record efficiency of 17.1%. The origin of the device open-circuit voltage (VOC), already a multifaceted issue in binary OSC, is even more…
Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…
Solar cells based on organic compounds are a proven emergent alternative to conventional electrical energy generation. Here, we provide a computational study of power conversion efficiency optimization of BODIPY-derivatives by means of…
Large Language Models (LLMs) have made significant progress in handling complex programming tasks. However, current methods rely on manual model selection and fixed workflows, which limit their ability to adapt to changing task…
The rapid growth of scientific literature demands robust tools for automated survey-generation. However, current large language model (LLM)-based methods often lack in-depth analysis, structural coherence, and reliable citations. To address…
Solar energy is rapidly becoming a robust renewable energy source to conventional finite resources such as fossil fuels. It is harvested using interconnected photovoltaic panels, typically built with crystalline silicon cells, i.e.…
Aqueous precursors provide an alluring approach for low-cost and environmentally friendly production of earth-abundant Cu2ZnSn(S,Se)4 (CZTSSe) solar cells. The key is to find an appropriate molecular agent to prepare a stable solution and…
In multicellular organisms, cells coordinate their activities through cell-cell communication (CCC), which is crucial for development, tissue homeostasis, and disease progression. Recent advances in single-cell and spatial omics…
LLM-based multi-agent systems (MAS) have emerged as a promising approach to tackle complex tasks that are difficult for individual LLMs. A natural strategy is to scale performance by increasing the number of agents; however, we find that…
The advancements of large language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about their true…
While renewable energies are achieving parity around the globe, efforts to reach higher solar cell efficiencies becomes ever more difficult as they approach the limiting efficiency. The so-called third generation concepts attempt to break…
Charge transfer in polymer devices represents a crucial, though highly inaccessible stage of photocurrent generation. In this article we propose studying the properties and behaviour of organic solar cells through the modification of…
Low cost, highly efficient, and stable solar cells demand low temperature processing, less stringent criteria on materials, and possibility of dynamic recovery from long term degradation: a combination of features unachievable from the…
Organic photovoltaics (OPVs) are promising candidates for solar-energy conversion, with device efficiencies continuing to increase. However, the precise mechanism of how charges separate in OPVs is not well understood because low dielectric…
The production of hydrogen fuels, via water splitting, is of practical relevance for meeting global energy needs and mitigating the environmental consequences of fossil-fuel-based transportation. Water photoelectrolysis has been proposed as…
To help address the occlusion problem in panoptic segmentation and image understanding, this paper proposes a new large-scale dataset named COCO-OLAC (COCO Occlusion Labels for All Computer Vision Tasks), which is derived from the COCO…