相关论文: Bioplastic Design using Multitask Deep Neural Netw…
Developing new metal hydrides is a critical step toward efficient hydrogen storage in carbon-neutral energy systems. However, existing materials databases, such as the Materials Project, contain a limited number of well-characterized…
Deep learning models are gaining popularity and potency in predicting polymer properties. These models can be built using pre-existing data and are useful for the rapid prediction of polymer properties. However, the performance of a deep…
Deep neural networks have become a pervasive tool in science and engineering. However, modern deep neural networks' growing energy requirements now increasingly limit their scaling and broader use. We propose a radical alternative for…
The influence of deep learning is continuously expanding across different domains, and its new applications are ubiquitous. The question of neural network design thus increases in importance, as traditional empirical approaches are reaching…
Path planning in obstacle-dense environments is a key challenge in robotics, and depends on inferring scene attributes and associated uncertainties. We present a multiple-hypothesis path planner designed to navigate complex environments…
Designing high-performance amorphous alloys is demanding for various applications. But this process intensively relies on empirical laws and unlimited attempts. The high-cost and low-efficiency nature of the traditional strategies prevents…
Fluid ferroelectrics, a recently discovered class of liquid crystals that exhibit switchable, long-range polar order, offer opportunities in ultrafast electro-optic technologies, responsive soft matter, and next-generation energy materials.…
Everyday we are exposed to various chemicals via food additives, cleaning and cosmetic products and medicines -- and some of them might be toxic. However testing the toxicity of all existing compounds by biological experiments is neither…
The huge amount of plastic wastes has become a pressing global environmental problem, leading to severe environmental pollution and resource depletion through conventional downcycling technologies like incineration and landfilling. In…
Many real-world systems involve higher-order interactions and thus demand complex models such as hypergraphs. For instance, a research article could have multiple collaborating authors, and therefore the co-authorship network is best…
It has been a long-standing materials science challenge to establish structure-property relations in amorphous solids. Here we introduce a rotation-variant local structure representation that enables different predictions for different…
The design/discovery of new materials is highly non-trivial owing to the near-infinite possibilities of material candidates, and multiple required property/performance objectives. Thus, machine learning tools are now commonly employed to…
Plastics are essential to modern life, yet poor disposal practices contribute to low recycling rates and environmental accumulation-biological degradation and by-product reuse offer a path to mitigate this global threat. This report…
Molecular activity prediction is critical in drug design. Machine learning techniques such as kernel methods and random forests have been successful for this task. These models require fixed-size feature vectors as input while the molecules…
Compatibilized polymer blends are a complex, yet versatile and widespread category of material. When the components of a binary blend are immiscible, they are typically driven towards a macrophase-separated state, but with the introduction…
The cells and tissues that make up our body juggle contradictory mechanical demands. It is crucial for their survival to be able to withstand large mechanical loads, but it is equally crucial for them to produce forces and actively change…
In this study, deoxyribonucleic acid (DNA) from bananas was extracted and functionalized and used for the first time as a homeotropic alignment layer for liquid crystals (LCs). Our research was aimed at extracting and investigating DNA from…
Two-dimensional (2D) materials are among the most promising candidates for beyond-silicon electronic, optoelectronic and quantum computing applications. Recently, their recognized importance sparked a push to discover and characterize novel…
Vitrimer is an emerging class of sustainable polymers with self-healing capabilities enabled by dynamic covalent adaptive networks. However, their limited molecular diversity constrains their property space and potential applications.…
Recent advancements in machine learning have showcased its potential to significantly accelerate the discovery of new materials. Central to this progress is the development of rapidly computable property predictors, enabling the…