Making Your Own Computational Chemistry Package

Presentation Type

Poster Presentation

Mentor/Supervising Professor Name

Pak, Sarah

Abstract (Description of Research)

Computational chemistry is the use of mathematics, physics, and computer algorithms to model, predict, and analyze chemical systems. The goal of this project was to take a chemical system and translate it into a form a computer can understand, then use that to calculate properties or predict behavior. Our program was successfully designed to read coordinate data and to calculate bond length.

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Making Your Own Computational Chemistry Package

Computational chemistry is the use of mathematics, physics, and computer algorithms to model, predict, and analyze chemical systems. The goal of this project was to take a chemical system and translate it into a form a computer can understand, then use that to calculate properties or predict behavior. Our program was successfully designed to read coordinate data and to calculate bond length.