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Computational Science


Ramachandran plot of alanine dipeptide visualizes energetically allowed regions on the energy surface.

The Computational Science (CPS) Division focuses on solving the most challenging scientific problems through advanced modeling and simulation on the most capable computers.

The division aims to build lab-wide cross-cutting simulation application capabilities integrating with mathematics, computer science, domain science, and advanced computing architectures and facilities. Additionally, the CPS provides an interdisciplinary home for spawning simulation programs and projects, often in collaboration with the Data Science and Learning and Mathematics and Computer Science Divisions and the Argonne Leadership Computing Facility.

CPS News

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