The Data Science and Modeling for Green Chemistry award aims to recognize the research and development of computational tools that guide the design of sustainable chemical processes and the execution ...

The Computational Science and Modeling (CSM) Laboratory is an interdisciplinary facility designed to support student-learning by enabling the integration of computation in research and teaching at ...

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 ...

In today’s world where science and engineering depend on the simulation of new materials and their behavior is of critical importance. New materials are constantly being designed and brought into ...

Researchers have developed a free, user-friendly tool that makes use of multiple computational models to help solid waste systems achieve their environmental goals in the most cost-efficient way ...

Brian R. Sturtevant, Andrew Fall, Daniel D. Kneeshaw, Neal P. P. Simon, Michael J. Papaik, Kati Berninger, Frédérik Doyon, Don G. Morgan, Christian Messier Ecology and Society, Vol. 12, No. 2 (Dec ...

Data modeling is the procedure of crafting a visual representation of an entire information system or portions of it in order to convey connections between data points and structures. The objective is ...