A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing ...

Modeling and creating simulations are key skills in any math, science or engineering profession. That’s why we’ve created a unique, interdisciplinary computational science minor. This minor gives ...

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 ...

Computational thinking is increasingly recognised as a fundamental approach to problem solving that transcends traditional disciplinary boundaries. It involves organising complex challenges into ...

A behind-the-scenes blog about research methods at Pew Research Center. For our latest findings, visit pewresearch.org. In April 2023, Pew Research Center published an analysis of mission statements ...

(a) A feasible route for developing large materials models capable of describing the structure-property relationship of materials. The universal materials model of DeepH accepts an arbitrary material ...

Mathematics has always been central to my academic growth, shaping my understanding of complex phenomena. My two elder brothers, Mr. Femi and Mr. Wemimo, played a key role in nurturing my mathematical ...

Nov. 19, 2025 — Applications for the Department of Energy Computational Science Graduate Fellowship (DOE CSGF) are being accepted through Jan. 15, 2026, with an informational webinar set for Dec. 3, ...