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Mario Barbatti on Muck Rack

Mario Barbatti

As seen in: Nature, Taylor & Francis Online, ACS Publications, Royal Society of Chemistry, Aeon, HAL, Chemistry World, QOSHE
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Articles

Optimizing photon conversion routes in cinnamate derivatives

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By Michael Hymas, Jack Dalton, Ivan Romanov, hans sanders, Mario Barbatti, Josene Toldo, Wybren Jan Buma, Vasilios G. Stavros
| Nature Verified
Abstract E-Z photoisomerisation is a key relaxation process in biological chromophores, supporting processes such as vision and photoprotection. Here we use such pathways to optimise photon-to-heat conversion processes. To this purpose, we synthesise methyl cinnamate derivatives in which steric and electronic substitutions modulate excited-state decay.
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The quantum measurement problem: a review of recent trends

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By Anderson A. Tomaz, Rafael S Mattos, Mario Barbatti
| Taylor & Francis Online
ABSTRACT Left on its own, a quantum state evolves deterministically under the Schrödinger equation, forming superpositions. Upon measurement, however, a stochastic process governed by the Born rule collapses it to a single outcome. This dual evolution of quantum states – the core of the Measurement Problem – has puzzled physicists and philosophers for nearly a century. Yet, amid the cacophony of competing interpretations, the problem today is not as impenetrable as it once seemed.
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A Density Functional Theory and Semiempirical Framework for Trajectory Surface Hopping on Extended Systems

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By Michael Schulz, Rafael Souza Mattos, Mario Barbatti, Jan-Robert Vogt
| dx.doi.org
1. Introduction Click to copy section linkSection link copied! The time-dependent study of photochemical properties in extended systems implying periodic boundary conditions, i.e., in solids, surfaces, or condensed-phase systems, requires a setup suitable for efficient nonadiabatic dynamics. Localization of the excitation manifold, ideally in combination with a hybrid quantum mechanics/molecular mechanics setup, can reduce computational timings and enable applications at a large scale.
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