A setback in growing light-responsive crystals led UB chemist Jason Benedict and his team to a novel method for mapping molecular arrangements.
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Crystallography-informed AI achieves high performance in predicting novel crystal structures
A research team from the Institute of Statistical Mathematics and Panasonic Holdings Corporation has developed a machine learning algorithm, ShotgunCSP, that enables fast and accurate prediction of ...
The proposed novel method uses deep learning to study the physical properties of compounds such as explosive perchlorates by using only their crystal structure and thus avoiding dangerous experiments.
Duplicates of crystal structures are flooding databases, implicating repositories hosting organic, inorganic, and computer-generated crystals. The issue raises questions about curation practices at ...
A research team from the Institute of Statistical Mathematics and Panasonic Holdings Corporation has developed a machine learning algorithm, ShotgunCSP, that enables fast and accurate prediction of ...
BUFFALO, N.Y. — University at Buffalo chemist Jason Benedict and his team spent years developing photoswitchable crystals. Every crystal’s shape is a mirror of the internal arrangement of their ...
Perchlorate compounds are known for their explosive nature. To understand what makes these compounds so explosive, a team of researchers developed a novel deep learning-based method that analyses ...
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