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Direct linkAtanu Bhattacharya; Kalyan Dasgupta; Binoy Paine – Journal of Chemical Education, 2024
In this paper, we present a computational chemistry project that demonstrates the quantum dynamics of a free particle, using both classical and quantum computing algorithms. This project can be used in a computational quantum chemistry course in which the instructor introduces quantum computing. Students write their own programs to simulate the…
Descriptors: Chemistry, Science Education, Quantum Mechanics, Computer Science
