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This work demonstrates out-of-plane quadrupolar characteristic of excitons in two-dimensional Ruddlesden–Popper perovskites, which is attributed to the hydrogen bonding between organic spacer cations and apical I ions of the inorganic octahedron. 

Abstract Objective.To develop a coil placement optimization pipeline for transcranial magnetic stimulation (TMS) that improves over existing solutions by guaranteeing the feasibility of the solution when double-cone coils are used and/or targets are placed over nonconvex scalp areas like the occipital region.Approach.Our proposed pipeline estimates feasible candidate coil locations by projecting the coil’s geometry over the scalp around the target site and optimizing the coil’s orientation to maximize scalp exposure to coil while avoiding coil-scalp collision. Then, the reciprocity principle is used to select the best position/orientation among candidates and maximize the average electric field (E-field) intensity at the target site. Our pipeline was tested on five magnetic resonance imaging-derived human head models for three different targets (motor cortex, lateral cerebellum, and cerebellar inion) and four coil models (planar coil: MagStim D70; double-cone coils: MagStim DCC, MagVenture Cool-D-B80, and Deymed 120BFV).Main results.Our pipeline returned several feasible solutions for any combination of anatomical target and coil, calculated and screened over 2000 candidates in minutes, and resulted in optimal locations that satisfy the minimum coil-scalp distance, whereas the direct method returned feasible candidates for just one combination of target and coil, i.e. planar coil and convex target over the motor cortex. We also found that, when the objective is to maximize the E-field magnitude, the target-to-scalp extension line is a better axis for coil translation compared to the normal vector at the scalp’s surface, which is commonly used in existing approaches.Significance.We expand the use of numerical optimization for coil placement to double-cone coils, which are rapidly diffusing in research and clinical settings, and novel application domains, e.g. cerebellar TMS and ataxia treatment. 

Abstract Objective.Cerebellar transcranial magnetic stimulation (TMS) has been proposed to suppress limb tremors in essential tremor (ET), but mixed results have been reported so far, both when pulses are applied repetitively TMS (rTMS) and in bursts. We aim to investigate the cellular effects of TMS on the cerebellum under ET through numerical simulations.Approach.A computational model of the olivo-cerebello-thalamocortical pathways exhibiting the main neural biomarkers of ET (i.e. circuit-wide tremor-locked neural oscillations) was expanded to incorporate the effects of TMS-induced electric field (E-field) on Purkinje cells. TMS pulse amplitude, frequency, and temporal pattern were varied, and the resultant effects on ET biomarkers were assessed. Four levels of cellular response to TMS were considered, ranging from low to high cell recruitment underneath the coil, and three stimulation patterns were tested, i.e. rTMS, irregular TMS (ir-TMS, pulses were arranged according to Sobol sequences with average frequency matching rTMS), and phase-locked TMS (PL-TMS).Main results.rTMS can suppress ET oscillations, but its efficacy depends on tremor frequency and recruitment level, with these factors shaping a narrow range of effective settings. The ratio between tremor and rTMS frequencies also affects the neural response and further narrows the span of viable settings, while ir-TMS is ineffective. PL-TMS is highly effective and robust against changes to cell recruitment level and tremor frequency. Across all scenarios, PL-TMS provides a rapid (i.e. within seconds) suppression of tremor oscillations and, when both PL-TMS and rTMS are effective, the time to tremor suppression decreases by 50% or more in PL-TMS versus rTMS. At the cellular level, PL-TMS operates by disrupting the synchronization along the olivo-cerebellar loop, and the preferred phases map onto the mid-region of the silent period between complex spikes of the Purkinje cells.Significance.Cerebellar PL-TMS can provide robust suppression of ET oscillations while operating within safety boundaries. 

Background: Coil placement on the cerebellum lacks accuracy in targeting the intended lobules and limits the efficacy of cerebellar transcranial magnetic stimulation (TMS) in treating movement disorders. Objective: Develop a multiscale computational pipeline and method to rapidly predict the cellular response to cerebellar TMS and optimize the coil placement accordingly for lobule-specific activation. Methods: The pipeline integrates 3T T1/T2-weighted MRI scans of the human cerebellum, lobule parcellation, and finite element models of the TMS-induced electric (E-) fields for figure-of-eight coils (MagStim D70) and double-cone coils (Deymed 120BFV). A constrained optimization method is developed to estimate the fiber bundles from cerebellar cortices to deep nuclei and, for both coil types, find the coil placement and orientation that maximize the E-field intensity in a user-selected lobule. Multicompartmental Purkinje cell models with realistic axon geometries and Gaussian process regression are added to predict the recruitment in the Purkinje layer. Results: Our pipeline was tested in five individuals to target the left lobule VIII and resulted in normalized E-field intensities at the target 49.6±25.6% (D70) and 29.3±17.7% (120BFV) higher compared to standard coil positions (i.e., 3 cm left, 1 cm below the inion), mean±S.D. The minimum pulse intensity to recruit Purkinje cells on a 4 mm2-surface in the target decreased by 21.6% (range: 4.7-55.0%) and 10.7% (range: 7.9-18.2%), and the spillover to adjacent lobules decreased by 70.6±16.3% and 71.7±20.8% compared to standard positions (D70 and 120BFV, respectively). Conclusion: Our tools are effective at targeting specific lobules and pave the way toward patient-specific setups. 

Moiré excitons and moiré magnetism are essential to semiconducting van der Waals magnets. In this work, we perform a comprehensive first-principles study to elucidate the interplay of electronic excitation and magnetism in twisted magnetic CrSBr bilayers. We predict a twist-induced quantum phase transition for interlayer magnetic coupling and estimate the critical twist angle below which moiré magnetism with mixed ferromagnetic and antiferromagnetic domains could emerge. Localized one-dimensional moiré excitons are stable if the interlayer coupling is ferromagnetic and become unstable if the coupling turns to antiferromagnetic. Exciton energy modulation by magnons is estimated and dependence of exciton oscillator strength on the twist angle and interlayer coupling is analyzed. An orthogonally twisted bilayer is revealed to exhibit layer-dependent, anisotropic optical transitions. Electric field is shown to induce net magnetic moments in moiré excitons, endowing them with exceedingly long lifetimes. Our work lays the foundation for using magnetic moiré bilayers in spintronic, optoelectronic, and quantum information applications.