The power of modern computation allows us to decipher the mysteries of how molecules behave. Theory and simulation allow us to harness huge amounts of data collected on chemical, biological and physical systems and build predictive models. Computational chemists apply these models to design new materials, cure human disease and preserve our environment.
Computational & Theoretical
QS ranks MIT the world’s No. 1 university for 2022-23
Earning the top spot for the 11th straight year, the Institute also places first in 12 subject areas, including Chemistry.
Seven members of the Chemistry Community receive Spring 2022 Mentorship Spotlight Award
The winners were nominated by students, postdocs, faculty, and staff in recognition of their exceptional commitment to mentorship.
Members of the Chemistry Community receive Fall 2022 Mentorship Spotlight Award
The seven winners were nominated by students, postdocs, faculty, and staff in recognition of their exceptional commitment to mentorship.
Chenru Duan “always has room for another project”
PhD candidate receives multiple honors for work integrating machine learning towards improving quantum chemistry calculation workflows.
Why are comet heads green — but not their tails?
An accidental discovery and a love of spectroscopic perturbations leads to the solution of a 90-year-old puzzle.
School of Science announces 2022 Infinite Expansion Awards
Eight postdocs and research scientists within the School of Science honored for contributions to the Institute.
How molecular clusters in the nucleus interact with chromosomes
A new study finds the clusters form small, stable droplets and may give the genome a gel-like structure.