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Scientific Computing

Scientific Computing develops new theories, algorithms, and computer software and uses them to investigate questions in science and engineering that are hard to access by experimentation alone. Georgia Tech is a leader in the development and application of simulation software.

Scientific Computing develops new theories, algorithms, and computer software and uses them to investigate questions in science and engineering.  In complex systems, experiments alone are often insufficient to obtain a detailed understanding, and scientific computing can fill in some critical gaps.  Indeed, modeling and simulation are now considered a third mode of discovery, of equal importance to theory and experiment. Scientific computing provides a means to design better materials, understand biology at the molecular scale, virtually screen drug candidates, predict weather patterns, and model the dynamics of galaxies.

Georgia Tech has experts in every aspect of scientific computing: development of new theoretical models amenable to computation, development of algorithms to implement these theories, development of high-quality research software to make these algorithms usable by others, and the use of modeling and simulation to answer challenging questions.  Often, the algorithms and software developed utilize emerging techniques in AI and ML, and are developed for use on high-performance or high-throughput computing platforms.

Scientific Software Development

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GT researchers are leaders in developing new scientific software, which is necessary to simulate new phenomena or obtain results more accurately and/or more quickly. Key products include programs for quantum chemistry, astrophysics, fluid dynamics, genetic sequence alignment, gene prediction, and for building open-source GPUs.

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Contact for Scientific Computing | David Sherrill; Regents’ Professor, School of Chemistry and Biochemistry, and School of Computational Science and Engineering