Jeet Mohapatra, Nima Dehmamy, et al.
ICML 2025
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 simplest example of quantum dynamics by using both classical and quantum computing algorithms. Through this article, it is expected that students of chemistry will get a good introduction to the emerging field of quantum chemistry on a quantum computer.
Jeet Mohapatra, Nima Dehmamy, et al.
ICML 2025
Shantanu Mishra, Manuel Vilas-Varela, et al.
Nature Chemistry
Seung Gu Kang, Jeff Weber, et al.
ACS Fall 2023
Fabian Thiemann, Niamh O’neill, et al.
Journal of Physics Condensed Matter