A new theoretical model is developed for the investigation of atomic collision cascades and subcascades in irradiated solids consisting of atoms of a single type. The model is based on an analytical description of the elastic collisions between moving atoms knocked out of the crystal lattice sites ...
Studying the development of tissues in organoids has several advantages: they can be observed with advanced microscopy methods, making it possible to see dynamic changes deep inside the tissue. They can be generated in large numbers and the environment can be controlled to influence development. T...
The gel promotes migration and accelerates the rate of wound healing in rabbit corneal epithelial cells. An inhibitory effect on keratitis and corneal fibrosis is also evident in animal burn models. Its functionality is outstanding compared with those of other materials owing to the natural repair ...
together showed that the porous ultrathin structure of NiSAPs-PuCN had a significantly increased specific surface area (139.6 m2 g−1, about 8.3 times of BCN) and abundant pore distribution. This adjusted structure would be very favorable for anchoring single atoms, as confirmed in the ...
ORNL’s Paul Kent The application uses quantum Monte Carlo simulations to compute material properties down at the level of atoms and electrons. Simulation data will complement experimental data in discovering new materials to improve energy technology from batteries to generation methods. ...
We then applied CovPepDock to generate 200 models of each of these mutated complexes (100 for each stereoisomer). To favor the formation of the covalent bond in its correct geometry, we applied AtomPair constraints between each of the covalent bond atoms and its virtual placeholder in the ...
These ideas could provide a good foundation for students to build more sophisticated understandings of interactions once they introduce electrons into their models of atoms. Although very few students considered ideas about conservation in the open-ended context, about 40–60% of students correctly ...
a package for developing machine learning-based chemically accurate energy and density functional models 展开 收起 暂无标签 Python LGPL-3.0 保存更改 取消 发行版 暂无发行版 贡献者 (9) 全部 近期动态 4个月前推送了新的提交到 develop 分支,f4715d5...bf7175b 5个月前推送了新的提交到...
Tree peony (Paeonia section Moutan DC.) is known for its excellent ornamental and medicinal values. In 2011, seeds from P. ostii have been identified as novel resource of α-linolenic acid (ALA) for seed oil production and development in China. However,
Exploring high-dimensional potential energy models of materials is an example. Traditionally, these searches are time consuming (often several years for a single bulk system) and driven by human intuition and/or expertise and more recently by global/local optimization searches that have issues with ...