SPaDe-CSP first predicts most probable space groups and crystal densities using machine learning and then employs an efficient neural network potential for structure refinement. Prediction of crystal ...

This hands-on course teaches step-by-step techniques for interpreting mass spectrometric data to identify molecular structures. Participants will learn elemental composition analysis, tandem MS ...

(Nanowerk News) Until very recently, the idea of watching how molecules break, or transform, during chemical reactions was unfathomable. In 2016, researchers from ICFO developed mid-IR-driven laser ...

The popularity of mRNA-based therapeutics has surged over the past few years. To ensure the safety of these treatments, scientists need to analyze the characteristics of the manufactured molecules, ...

Scientists have created a computer program that 'paints' the structure of molecules in the style of famous Dutch artist, Piet Mondrian. Researchers are opening eyes and minds to the beauty of ...

Researchers at Google Quantum AI have used their Willow quantum computer to help interpret data from Nuclear Magnetic Resonance (NMR) spectroscopy, a mainstay of chemistry and biology research. The ...