Could LLMs help design our next medicines and materials?
A new method lets users ask, in plain language, for a new molecule with certain properties, and receive a detailed description of how to synthesize it.
chemistry
With generative AI, MIT chemists quickly calculate 3D genomic structures
A new approach, which takes minutes rather than days, predicts how a specific DNA sequence will arrange itself in the cell nucleus.
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.