Science on the double: How an AI-powered 'digital twin' accelerates chemistry and materials discoveries

Understanding what complex chemical measurements reveal about materials and reactions can take weeks or months of analysis.
Michigan Technological University

What is Computational Chemistry?

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...
C&EN

Data Science and Modeling for Green Chemistry Past Recipients

2024 - Bristol-Meyers Squibb was awarded for “PMI Prediction and Bayesian Optimization: Two Tools with One Goal Towards the Development of ‘Greener-by-Design’ Synthesis of APIs” Read more about BMS’s ...
C&EN

Editorial: Show us the data

Earlier this month, the Royal Swedish Academy of Sciences awarded the 2024 Nobel Prize in Chemistry for work on computational protein structure prediction and de novo protein design. The award may ...
Purdue University

Master of Science in Data Science

Purdue University's online Master's in Data Science will mold the next generation of data science experts and data engineers to help meet unprecedented industry demand for skilled employees. The ...