2 papers
quant-ph2026
End-to-End Molecular Dynamics with a Langevin Thermostat on Quantum Circuits
Masari Watanabe, Hirofumi Nishi, Taichi Kosugi +3
We construct a quantum-circuit framework for finite-temperature molecular dynamics in the canonical ensemble (NVT) with a Langevin thermostat, connecting canonical state preparatio…
quant-ph2026
Koopman--von Neumann Molecular Dynamics for Green--Kubo Transport Coefficients
Masari Watanabe, Hirofumi Nishi, Taichi Kosugi +3
We formulate the Green--Kubo transport coefficients of classical molecular dynamics as a readout problem for quantum algorithms using the Koopman--von Neumann (KvN) representation.…