“Whether you are starting with a co-crystal structure or a completely dark target devoid of any known small molecule modulators, Chemistry42 can generate highly optimized small molecule hits, ...

Porous organic crystals with superior properties as CO 2 adsorbents were created by researchers at Institute of Science Tokyo. Owing to the novel 2.5-dimensional skeleton, the materials feature ...

Google DeepMind researchers have discovered 2.2 million crystal structures that open potential progress in fields from renewable energy to advanced computation, ... a co-author of the paper.

Crystal structures are common and familiar to us in substances such as salt, ice and sand. Scientists define them by their regular patterns and symmetry — the way the atoms and molecules are organized ...

In principle, crystal structures can be determined by solving energy minimization problems within the atomic configuration space, with energy evaluations typically performed using first-principles ...

Tuckerman and Galanakis verified the rules of Crystal Math using the Cambridge Crystal Data Centre, a database of hundreds of thousands of known organic molecular crystal structures. Specifically, the ...

Scientists use math to predict crystal structure in hours instead of months Date: November 14, 2024 Source: New York University Summary: Researchers have devised a mathematical approach to predict ...

"Most liquid-crystal-based devices are made from single-layer structures, but this limits light field modulation to a confined area," said research team leader Fan Fan from Hunan University in China.

Crystal structure prediction seeks to identify the stable or metastable crystal structures for any given chemical compound adopted under specific conditions. Traditionally, ...