Work

Quantum Molecular Dynamics

Year: 2026
Type: article
Abstract: We formulate a new quantum many body simulation method for a general quantum fluid at any given temperature. Unlike path integral Monte Carlo our method evolves in imaginary time the density matrix from its initial delta function condition to its final thermal form at time time equal to the inverse temperature. It does this with a molecular dynamics scheme on a classical Hamiltonian that has the same functional form as the one of the quantum mechanical Hamiltonian according to the properties of the continuous representation of John R. Klauder. We then end up with the thermal density matrix that can be used to extract thermal averages of observables using the Monte Carlo method equally well in any statistics.
Language: English
Open Access status: gold
Estimated APC paid: $1,689
OpenAlex ID: W7127913654
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