Theory of Moment Propagation for Quantum Dynamics in Single-Particle Description (2023)
Undergraduate: Nicholas Boyer
Faculty Advisor: Yosuke Kanai
Department: Chemistry
We present a novel method of propagating quantum dynamics for a single-particle wavefunction description using moments. Moments
provide a convenient and complete description of a single particle wave function that would be computationally
advantageous in simulating electron dynamics in complex chemical systems. We discuss the theoretical formulation
for the new moment propagation theory and its practical implementation in a simple one-dimensional system. The
recent development of artificial neural networks is investigated for quantum dynamics using this novel method.