ArticleJournal of chemical theory and computation2026
TENSO: Software Package for Numerically Exact Open Quantum Dynamics Based on Efficient Tree Tensor Network Decomposition of the Hierarchical Equations of Motion.
Article in Journal of chemical theory and computation, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
TENSO is a versatile and powerful open-source software package for numerically exact simulations of the dynamics of quantum systems immersed in structured thermal environments. It is based on a tree tensor network decomposition of the hierarchical equations of motion (HEOM) that efficiently curtails its curse of dimensionality with bath complexity. As such, TENSO enables exact non-Markovian open-quantum-dynamics simulations even with complex environments typical of chemistry and quantum information science. TENSO allows for time-dependent drive in the system and for noncommuting fluctuations. More generally, TENSO efficiently propagates the dynamics for any method with a generator of the dynamics that can be expressed in a sum-of-products form, including the HEOM and multilayer multiconfigurational time-dependent Hartree methods. TENSO enables simulations using tensor trees and trains of arbitrary order and implements three propagation strategies for the coupled master equations: two fixed rank methods that require a constant memory footprint during the dynamics and one adaptive rank method with a variable memory footprint controlled by the target level of computational error. In contrast to the accompanying theory and algorithmic paper [ J. Chem. Phys.2025, 163, 104109. ], the focus here is on the practical usage and applications of TENSO with underlying theoretical concepts introduced only as needed.
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