ArticlePhysical chemistry chemical physics : PCCP2026
The Newton-X platform for mixed quantum-classical dynamics.
Article in Physical chemistry chemical physics : PCCP, 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
Mixed quantum-classical dynamics (MQCD) methods are effective models for excited-state processes in quasi-classical molecular systems, in which nuclear motion is described by classical trajectories while electronic populations undergo quantum nonadiabatic transitions. This article presents Newton-X 26, a new generation of the Newton-X platform that consolidates two decades of development into a modular ecosystem for generating spectra and initial conditions, propagating dynamics, and analyzing, postprocessing, and archiving data. Newton-X 26 supports multiple MQCD strategies, including surface hopping, decoherence-corrected Ehrenfest dynamics, and
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