QDCT seamlessly enhances surface hopping accuracy without adding computational cost.
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Discovering the photophysics of resveratrol opens up its use in pharmaceutical innovations.
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Benchmark compares different ways to rescale velocities in surface hopping.
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X-Ray simulations reveal twisting in ethylene cation internal conversion.
(more…) Surface hopping is the leading approach to help understand excited molecules in active environments.
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Unexpected complex isomerization dynamics of ethyl sinapate.
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Meldrum phenolics proposed as a new class of UV-A filters.
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New dynamics method for dissipative processes.
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Paper sets a new gold-standard for surface hopping.
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Bezene excimers are formed within 1 ps and die after 0.3 ps.
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Dynamics shows that quantum-yield dependence on excitation energy doesn’t occur in the gas phase.
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