A joint research team led by Yuuki Kubo and Shiji Tsuneyuki of the University of Tokyo has developed a new computational method that can efficiently determine the crystal structures of multiphase ...

In one dramatic example of the necessity of predicting crystal structures, scientists in the late 1990s discovered that capsules of the HIV drug ritonavir later transformed from the known crystal ...

Researchers have developed an AI model that predicts atomic arrangements in crystal structures, streamlining the discovery of new materials for technologies like solar panels and computer chips. A new ...

“Crystal Math” uses equations—and minimal resources—to rapidly predict the 3D structures of molecular crystals, which could speed up R&D for drugs and electronic devices Researchers at New ...

In the field of electric vehicles (EVs), there is often indecision between the two major technological routes of ternary lithium and lithium iron phosphate (LFP). However, in the electric two-wheeler ...

State Key Laboratory of Catalysis, National Laboratory for Clean Energy, 2011-Collaborative Innovation Center of Chemistry for Energy Materials, Dalian Institute of Chemical Physics, Chinese Academy ...

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