deepchem.io的 10 大竞争对手

distill.pub

Neural Cellular Automata learn to generate textures, exhibiting surprising properties.

modelzoo.co

modelzoo curates and provides a platform for deep learning researchers to easily find code and pre-trained models for a variety of platforms and uses. find models that you need, for educational purposes, transfer learning, or other uses.

chemrxiv.org

Single atom catalysts have gained significant attention due to their promise of maximum atom utilization and uniform active sites. However, significant knowledge gaps remain regarding how coordination environments evolve under realistic operating conditions and how that affects their ability to participate in chemical and physical processes. This study used infrared spectroscopy to investigate the effect of thermal chemical preprocessing on the 13CO adsorption capacity of 0.034 wt.% Pd/CeO2 to yield monomeric palladium carbonyl complexes. While the (13CO) band frequency of the monomer was only slightly responsive to thermal chemical preprocessing, the monomer density spanned an order-of-magnitude. The breadth of the monomer density suggests that single-atom coordination environments are better described as a distribution that can be systematically manipulated to control chemical processes as opposed to static, uniform active sites. Changes in the Pd coordination ensemble, manifested as changes in the monomer density, represented distinct metastable states that were accessed through specific thermal chemical histories. The dependence of the coordination ensemble on thermal chemical history led to different monomer densities under identical experimental conditions. This observation revealed that thermal chemical preprocessing is non-deterministic and that the Pd coordination ensemble is kinetically controlled rather than thermodynamically determined. This work establishes a methodology that uses molecules as both sensitive diagnostics and synthetic tools to direct material properties. The ability to reversibly control coordination distributions opens new pathways for catalyst design and provides fundamental insights into the dynamic nature of atomically dispersed metals.

depth-first.com

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qsimulate.com

qsimulate is leveraging the power of quantum mechanics to solve industrial-scale problems like never before.

rjwave.org

Publish your research in low-cost, UGC CARE Approved, peer-reviewed open access journals with RJWave.org. DOI, indexing, and global reach at ₹599.

grasp-ai.com

Grasp is the world's first AI analyst for finance professionals. Our AI analyst automates company and market research for investment banks, private equity firms, and management consulting firms across the world.