Molecular dynamics in electronically excited states using time-dependent density functional theory

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Molecular dynamics (MD) simulations have emerged as a transformative approach to analyse molecular systems at the atomic level, offering valuable insights into complex biological processes. Many biological phenomena can only accurately be described by inco ...

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Recent work suggests that serial dependence, where perceptual decisions are biased toward previous stimuli, arises from the prior that sensory input is temporally correlated. However, existing studies have mostly used random stimulus sequences that do not ...

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Molecular machines offer many opportunities for the development of responsive materials and introduce autono-mous motion in molecular systems. While basic molecular switches and motors carry out one type of motion upon being exposed to an external stimulus ...

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Investigating the Serotonergic Modulation of Orientation Tuning of Neurons in Primary Visual Cortex of Anesthetized Mice

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Double-bond delocalization in non-alternant hydrocarbons induces inverted singlet-triplet gaps

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Molecules where the first excited singlet state is lower in energy than the first excited triplet state have the potential to revolutionize OLEDs. This inverted singlet-triplet gap violates Hund's rule and currently there are only a few molecules which are ...

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Double-bond delocalization in non-alternant hydrocarbons induces inverted singlet-triplet gaps

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Data-driven design of organic electronic materials

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Singlet fission (SF) is a multiexciton-generating process whereby an excited state singlet (S1) is converted into two lower-energy triplets (T1). The inclusion of a SF-capable material into a photovoltaic device offers the potential for the absorption of p ...

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Serial dependence in visual perception: A review

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How does the visual system represent continuity in the constantly changing visual input? A recent proposal is that vision is serially dependent: Stimuli seen a moment ago influence what we perceive in the present. In line with this, recent frameworks sugge ...

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Helical versus linear Jahn-Teller distortions in allene and spiropentadiene radical cations

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The allene radical cation can be stabilized both by Jahn-Teller distortion of the bond lengths and by torsion of the end-groups. However, only the latter happens and the allene radical cation relaxes into a twisted D-2 symmetry structure with equal double- ...

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