Protein molecules can have complicated structures that dictate their functions. Christoph Burgstedt/Science Photo Library via Getty Images Although the Nobel Prizes in physics and chemistry are ...

Researchers from Imperial and its spinout company SOLVE Chemistry have presented a chemical dataset at the prestigious AI conference NeurIPS that could help accelerate the use of machine learning to ...

Gas sensing material screening faces challenges due to costly trial-and-error methods and the complexity of multi-parameter ...

If nonliving materials can produce rich, organized mixtures of organic molecules, then the traditional signs we use to recognize biology may no longer be enough.

Machine learning is transforming many scientific fields, including computational materials science. For about two decades, scientists have been using it to make accurate yet inexpensive calculations ...

When an ecological disaster releases toxins into the environment, extensive sampling and analysis is vital to ensure the health and safety of the people affected. Surface-enhanced vibrational ...

Discover how a new machine learning method can help scientists predict which MOF structures are good candidates for advanced ...