chemistry
chemistry

MIT Schwarzman College of Computing launches postdoctoral program to advance AI across disciplines

The new Tayebati Postdoctoral Fellowship Program will support leading postdocs to bring cutting-edge AI to bear on research in scientific discovery or music.

AI model can reveal the structures of crystalline materials

By analyzing X-ray crystallography data, the model could help researchers develop new materials for many applications, including batteries and magnets.

A smarter way to streamline drug discovery

The SPARROW algorithm automatically identifies the best molecules to test as potential new medicines, given the vast number of factors affecting each choice.

Computational model captures the elusive transition states of chemical reactions

Using generative AI, MIT chemists created a model that can predict the structures formed when a chemical reaction reaches its point of no return.

MIT engineers develop a way to determine how the surfaces of materials behave

Using machine learning, the computational method can provide details of how materials work as catalysts, semiconductors, or battery components.

Learning the language of molecules to predict their properties

This AI system only needs a small amount of data to predict molecular properties, which could speed up drug discovery and material development.

Inaugural J-WAFS Grand Challenge aims to develop enhanced crop variants and move them from lab to land

Matt Shoulders will lead an interdisciplinary team to improve RuBisCO — the photosynthesis enzyme thought to be the holy grail for improving agricultural yield.

Mining the right transition metals in a vast chemical space

Computational chemists design better ways of discovering and designing materials for energy applications.

Five Artificial Intelligence (AI) Ideas for the Chemical Industry

Artificial intelligence, machine learning, and deep learning are now being used in the chemical industry.Machine Learning and Deep Learning are a growing and diverse fields of Artificial Intelligence (AI) which studies algorithms that are capable of au…