chemistry
chemistry

chemistry

Alumni/ae Artificial Intelligence Chemical engineering chemistry Computer science and technology Drug discovery Electrical engineering and computer science (EECS) Faculty machine learning MIT Schwarzman College of Computing Profile School of Engineering

Building AI models that understand chemical principles

Connor Coley works at the interface of chemistry and machine learning, to discover and design new drug compounds.

Artificial Intelligence Astronomy and astrophysics Awards, honors and fellowships chemistry Computer Science and Artificial Intelligence Laboratory (CSAIL) Education, teaching, academics Electrical engineering and computer science (EECS) Faculty machine learning MIT Schwarzman College of Computing Natural language processing School of Engineering School of Science

Jacob Andreas and Brett McGuire named Edgerton Award winners

The associate professors of EECS and chemistry, respectively, are honored for exceptional contributions to teaching, research, and service at MIT.

Algorithms Artificial Intelligence Astronomy and astrophysics chemistry Computer science and technology Data Faculty IDSS Interview Laboratory for Nuclear Science machine learning Materials science and engineering Mathematics MIT Schwarzman College of Computing National Science Foundation (NSF) Physics Research School of Science

3 Questions: On the future of AI and the mathematical and physical sciences

Professor Jesse Thaler describes a vision for a two-way bridge between artificial intelligence and the mathematical and physical sciences — one that promises to advance both.

Artificial Intelligence Batteries Carbon dioxide chemistry Cleaner industry Climate change Collaboration DMSE Electric grid Energy Energy storage Faculty Government Infrastructure Innovation and Entrepreneurship (I&E) Mechanical engineering MIT Energy Initiative Policy Renewable energy School of Engineering School of Science Special events and guest speakers Startups Students Sustainability The Engine Transportation

MIT Energy Initiative conference spotlights research priorities amidst a changing energy landscape

Industry leaders agree collaboration is key to advancing critical technologies.

Artificial Intelligence Chemical engineering chemistry Cleaner industry Computer science and technology Drug development machine learning Pharmaceuticals Research School of Engineering

A new model predicts how molecules will dissolve in different solvents

Solubility predictions could make it easier to design and synthesize new drugs, while minimizing the use of more hazardous solvents.

apps Artificial Intelligence chemistry Drug discovery Invention machine learning open source Research School of Science Software

New machine-learning application to help researchers predict chemical properties

ChemXploreML makes advanced chemical predictions easier and faster — without requiring deep programming skills.

Artificial Intelligence Broad Institute Cancer Cells chemistry Health sciences and technology Immunology Institute for Medical Engineering and Science (IMES) Medicine Ragon Institute Research School of Engineering School of Science

New AI system uncovers hidden cell subtypes, boosts precision medicine

CellLENS reveals hidden patterns in cell behavior within tissues, offering deeper insights into cell heterogeneity — vital for advancing cancer immunotherapy.

Artificial Intelligence Chemical engineering chemistry Computer science and technology Department of Defense (DoD) machine learning National Science Foundation (NSF) Research School of Engineering School of Science

New model predicts a chemical reaction’s point of no return

Chemists could use this quick computational method to design more efficient reactions that yield useful compounds, from fuels to pharmaceuticals.

Artificial Intelligence chemistry Computer Science and Artificial Intelligence Laboratory (CSAIL) Computer science and technology Data Drug discovery Electrical engineering and computer science (EECS) machine learning Medicine MIT Schwarzman College of Computing MIT-IBM Watson AI Lab National Science Foundation (NSF) Pharmaceuticals Research School of Engineering

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.

Artificial Intelligence Biology chemistry Computer science and technology DNA Genetics Research School of Science

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.