Staying true to the topic of cheap nonadiabatic dynamics simulations, here is another paper by us: Surface hopping within an exciton picture - An electrostatic embedding scheme that just appeared in JCTC. The idea in this case was to speed up the efficiency of photodynamics simulations by doing computations on individual chromophores and combining the results through a Frenkel exciton model.
Selective photocatalytic glucaric acid production from TEMPO-mediated
glucose oxidation on alkalized carbon nitride
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Applied Catalysis B: Environment and Energy 2025 Biomass photorefining is a
promising approach for sustainable clean energy and high-value chemical
product...
3 days ago
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