QFlux: An Open-Source Toolkit for Quantum Dynamics Simulations on Quantum Computers. Part IV - Dilation Method for Open Quantum Systems
Xiaohan Dan, Saurabh Shivpuje, Yuchen Wang +9 more
Energy and charge transfer processes, which are central to photosynthesis, catalysis, and molecular electronics, are governed by quantum dynamics in contact with complex environments. Interactions with surrounding degrees of freedom give rise to dissipation, decoherence, and energy exchange, shaping the mechanisms that determine chemical reactivity and transport phenomena. In Part IV of the QFlux tutorial series, we extend our study of quantum dynamics to open quantum systems, where time evolution is intrinsically non-unitary. Using the Lindblad master equation as a unifying and practical framework, we show how environmental effects can be modeled, simulated, and visualized with QFlux , an open-source platform that bridges classical and quantum computation. The tutorial presents the theoretical foundations of open-system dynamics, constructs the Lindblad propagator, and implements representative simulations ranging from spin models to chemically relevant double-well potentials. Special attention is given to dilation methods, which embed non-unitary dynamics within an enlarged unitary space through ancillary qubits, enabling open-system simulations on quantum hardware. This installment provides both conceptual insight and computational methodology for exploring dissipative quantum dynamics, laying the groundwork for subsequent parts addressing variational, non-Markovian approaches.
•Jan 30, 2026•0 citations