Which Algorithm Best Propagates the Meyer-Miller-Stock-Thoss Mapping Hamiltonian for Non-Adiabatic Dynamics?

A common strategy to simulate mixed quantum-classical dynamics is by propagating classical trajectories with mapping variables, often using the Meyer-Miller-Stock-Thoss (MMST) Hamiltonian or the related spin-mapping approach. When mapping the quantum subsystem, the coupled dynamics reduce to a set of equations of motion to integrate. Several numerical algorithms have been proposed, but a thorough performance comparison appears to be lacking. Here, we compare three time-propagation algorithms for the MMST Hamiltonian: the Momentum Integral (MInt) (J. Chem. Phys., 2018, 148, 102326), the Split-Liouvillian (SL) (Chem. Phys., 2017, 482, 124-134), and the algorithm in J. Chem. Phys., 2012, 136, 084101 that we refer to as the Degenerate Eigenvalue (DE) algorithm due to the approximation required during derivation. We analyze the accuracy of individual trajectories, correlation functions, energy conservation, symplecticity, Liouville's theorem, and the computational cost. We find that the MInt algorithm is the only rigorously symplectic algorithm. However, comparable accuracy at a lower computational cost can be obtained with the SL algorithm. The approximation implicitly made within the DE algorithm conserves energy poorly, even for small timesteps, and thus leads to slightly different results. These results should guide future mapping-variable simulations

Shape dependence of two-cylinder Renyi entropies for free bosons on a lattice

Universal scaling terms occurring in Renyi entanglement entropies have the potential to bring new understanding to quantum critical points in free and interacting systems. Quantitative comparisons between analytical continuum theories and numerical calculations on lattice models play a crucial role in advancing such studies. In this paper, we exactly calculate the universal two-cylinder shape dependence of entanglement entropies for free bosons on finite-size square lattices, and compare to approximate functions derived in the continuum using several different ansatzes. Although none of these ansatzes are exact in the thermodynamic limit, we find that numerical fits are in good agreement with continuum functions derived using the AdS/CFT correspondence, an extensive mutual information model, and a quantum Lifshitz model. We use fits of our lattice data to these functions to calculate universal scalars defined in the thin-cylinder limit, and compare to values previously obtained for the free boson field theory in the continuum.Comment: 7 pages, 5 figures, 1 tabl

Psychosocial factors of caregiver burden in child caregivers: results from the new national study of caregiving

Background Over 50 million informal caregivers in the United States provide care to an aging adult, saving the economy hundreds of billions of dollars annually from costly hospitalization or institutionalization. Despite the benefits associated with caregiving, caregiver stress can lead to negative physical and mental health consequences, or “caregiver burden”. Given these potential negative consequences of caregiver burden, it is important not only to understand the multidimensional components of burden but to also understand the experience from the perspective of the caregiver themselves. Therefore, the objectives of our study are to use exploratory factor analysis to obtain a set of latent factors among a subset of caregiver burden questions identified in previous studies and assess their reliability. Methods All data was obtained from the 2011 National Study of Caregiving (NSOC). Exploratory factor analysis (EFA) was performed to identify a set of latent factors assessing four domains of caregiver burden in “child caregivers”: those informal caregivers who provide care to a parent or stepparent. Sensitivity analysis was also conducted by repeating the EFA on demographic subsets of caregivers. Results After multiple factor analyses, four consistent caregiver burden factors emerged from the 23 questions analyzed: Negative emotional, positive emotional, social, and financial. Reliability of each factor varied, and was strongest for the positive emotional domain for caregiver burden. These domains were generally consistent across demographic subsets of informal caregivers. Conclusion These results provide researchers a more comprehensive understanding of caregiver burden to target interventions to protect caregiver health and maintain this vital component of the US health care system

Genome sequence of Acetomicrobium hydrogeniformans OS1

Acetomicrobium hydrogeniformans, an obligate anaerobe of the phylum Synergistetes, was isolated from oil production water. It has the unusual ability to produce almost 4 molecules H2/molecule glucose. The draft genome of A. hydrogeniformans OS1 (DSM 22491T) is 2,123,925 bp, with 2,068 coding sequences and 60 RNA genes

Familiality of behavioral flexibility and response inhibition deficits in autism spectrum disorder (ASD)

This work is licensed under a Creative Commons Attribution 4.0 International License.Background Diminished cognitive control, including reduced behavioral flexibility and behavioral response inhibition, has been repeatedly documented in autism spectrum disorder (ASD). We evaluated behavioral flexibility and response inhibition in probands and their parents using a family trio design to determine the extent to which these cognitive control impairments represent familial traits associated with ASD. Methods We examined 66 individuals with ASD (probands), 135 unaffected biological parents, and 76 typically developing controls. Participants completed a probabilistic reversal learning task (PRL) and a stop-signal task (SST) to assess behavioral flexibility and response inhibition respectively. Rates of PRL and SST errors were examined across groups, within families, and in relation to clinical and subclinical traits of ASD. Based on prior findings that subclinical broader autism phenotypic (BAP) traits may co-segregate within families and reflect heritable risk factors, we also examined whether cognitive control deficits were more prominent in families in which parents showed BAP features (BAP+). Results Probands and parents each showed increased rates of PRL and SST errors relative to controls. Error rates across tasks were not related. SST error rates inter-correlated among probands and their parents. PRL errors were more severe in BAP+ parents and their children relative to BAP− parents and their children. For probands of BAP+ parents, PRL and SST error rates were associated with more severe social-communication abnormalities and repetitive behaviors, respectively. Conclusion Reduced behavioral flexibility and response inhibition are present among probands and their unaffected parents, but represent unique familial deficits associated with ASD that track with separate clinical issues. Specifically, behavioral response inhibition impairments are familial in ASD and manifest independently from parental subclinical features. In contrast, behavioral flexibility deficits are selectively present in families with BAP characteristics, suggesting they co-segregate in families with parental subclinical social, communication, and rigid personality traits. Together, these findings provide evidence that behavioral flexibility and response inhibition impairments track differentially with ASD risk mechanisms and related behavioral traits

Validating a picture-based values measure across three studies

While the importance of congruence between personal and organizational values to employees and organizations has been well established in the academic literature, existing values measures have shortcomings in applied settings. We have developed the Picture-Based Values Measure (PBVM) to measure Schwartz’s 19 refined basic individual values, resist faking, avoid construct contamination, and show cross-cultural relevance. In this research proposal, we intend to establish the psychometric properties of the PBVM across three studies. In Study 1, to examine convergent validity, 300 working adults will take both the PBVM and Revised Portrait Value Questionnaire (PVQ-RR) via Prolific. To examine discriminant validity, participants will take measures of cognitive ability and social skills. Established correlates to values like personality, age, education, gender, race, religiosity, and political orientation will be assessed for nomological validity. Finally, to examine test-retest reliability, we will randomly assign 100 participants to retake the PBVM. In Study 2, values congruence will be assessed by administering the PBVM and measures of job satisfaction, organizational commitment and leader-member exchange to 150 Study 1 participants and their supervisors, who will also complete measures regarding employee in-role performance, organizational citizenship behaviors (OCBs), and counterproductive work behaviors (CWBs). In Study 3, we will examine applicants to nursing positions in a collaborating hospital. Applicants will take the PBVM and the PVQ-RR, and those hired will retake the values measures during the orientation period. The participants’ supervisors will complete the same measures in Study 2. Nurses’ turnover status, job satisfaction, and organizational commitment, at 12 months post-entry will be obtained. Department leaders will generate their department values profiles based on Schwartz’s definitions. This data will be used to examine the criterion-related validity of the value congruence based on PBVM, as well as its resistance to faking. Correlations will be calculated to estimate the psychometric properties of PBVM. These calculations will help to determine if the PBVM is more faking-resistant compared to the PVQ-RR across the selection and non-selection contexts, and if the PBVM has higher criterion-related validity using correlations between value congruence and job-related outcomes. We expect the PBVM to demonstrate high validity and resistance to faking. The proposed research, with collaborations between academics and practitioners, aims to validate the PBVM through three empirical studies, using selection and non-selection contexts and concurrent and predictive designs. If proven valid, the PBVM will offer organizations an effective assessment tool to select employees whose values align with their work environment

Investigating the physical properties of transiting hot Jupiters with the 1.5-m Kuiper Telescope

We present new photometric data of 11 hot Jupiter transiting exoplanets (CoRoT-12b, HAT-P-5b, HAT-P-12b, HAT-P-33b, HAT-P-37b, WASP-2b, WASP-24b, WASP-60b, WASP-80b, WASP-103b, XO-3b) in order to update their planetary parameters and to constrain information about their atmospheres. These observations of CoRoT-12b, HAT-P-37b and WASP-60b are the first follow-up data since their discovery. Additionally, the first near-UV transits of WASP-80b and WASP-103b are presented. We compare the results of our analysis with previous work to search for transit timing variations (TTVs) and a wavelength dependence in the transit depth. TTVs may be evidence of a third body in the system and variations in planetary radius with wavelength can help constrain the properties of the exoplanet's atmosphere. For WASP-103b and XO-3b, we find a possible variation in the transit depths that may be evidence of scattering in their atmospheres. The B-band transit depth of HAT-P-37b is found to be smaller than its near-IR transit depth and such a variation may indicate TiO/VO absorption. These variations are detected from 2-4.6$\sigma$, so follow-up observations are needed to confirm these results. Additionally, a flat spectrum across optical wavelengths is found for 5 of the planets (HAT-P-5b, HAT-P-12b, WASP-2b, WASP-24b, WASP-80b), suggestive that clouds may be present in their atmospheres. We calculate a refined orbital period and ephemeris for all the targets, which will help with future observations. No TTVs are seen in our analysis with the exception of WASP-80b and follow-up observations are needed to confirm this possible detection.Comment: 18 pages, 7 figures, 9 Tables. Light Curves available online. Accepted to MNRAS (2017 August 25

Leaf litter identity alters the timing of lotic nutrient dynamics

1. The effects of resource quality on ecosystems can shift through time based on preferential use and elemental needs of biotic consumers. For example, leaf litter decomposition rates are strongly controlled by initial litter quality, where labile litter is processed and depleted more quickly than recalcitrant litters. 2. We examined the effect of this processing continuum on stream nutrient dynamics.We added one of four different litter compositions differing in litter quality (cot ‐tonwood [Populus deltoides], labile; sycamore [Platanus occidentalis], recalcitrant; bur oak [Quercus macrocarpa], recalcitrant; and mixed [equivalent mixture of pre ‐vious three species]) to 12 large (c. 20 m long, with riffle, glide and pool sections) outdoor stream mesocosms to assess the effect of litter species composition on whole‐stream nutrient uptake. Nutrients were dosed once weekly for 8 weeks to measure uptake of NH4–N, NO3–N, and PO4–P. We also measured changes in lit ‐ter C, N, and P content on days 28 and 56 of the study. 3. Nutrient uptake rates were highly variable, but occasionally very different among litter treatments (c. 5× between highest and lowest uptake rates by species). Uptake rates were generally greatest in cottonwood (labile) streams early in the study. However, during the last 4 weeks of the study, bur oak streams (recalci ‐trant) took up more nutrients than cottonwood streams, resulting in more cumu‐lative NO3–N uptake in bur oak than in cottonwood streams. Cumulative NO3–N uptake was greater in mixed streams than expected (non‐additive) on two dates of measurement, but was generally additive. 4. Changes in litter nutrient content largely corroborated nutrient uptake patterns, suggesting strong N immobilisation early in the study and some N mineralisation later in the study. P was strongly retained by most litters, but especially bur oak. Nutrient content of litter also largely changed additively, suggesting minimal evi ‐dence for non‐additive diversity effects on nutrient source/sink status. 5. Our results demonstrate that litter species identity can have whole‐ecosystem effects on stream nutrient dynamics, with important implications for the for fate of nutrients exported downstream. Further, diverse litter assemblages may serve as temporal stabilisers of ecosystem processes, such as nutrient sequestra‐tion, due to microbial nutrient requirements and differential decomposition rates, or the classic litter processing continuum.NSF, Grant/Award Number: DEB‐144259

A social-ecological-technological systems framework for urban ecosystem services

As rates of urbanization and climatic change soar, decision-makers are increasingly challenged to provide innovative solutions that simultaneously address climate change impacts and risks and inclusively ensure quality of life for urban residents. Cities have turned to nature-based solutions to help address these challenges. Nature-based solutions, through the provision of ecosystem services, can yield numerous benefits for people and address multiple challenges simultaneously. Yet, efforts to mainstream nature-based solutions are impaired by the complexity of the interacting social, ecological, and technological dimensions of urban systems. This complexity must be understood and managed to ensure ecosystem-service provisioning is effective, equitable, and resilient. Here, we provide a social-ecological-technological system (SETS) framework that builds on decades of urban ecosystem services research to better understand four core challenges associated with urban nature-based solutions: multi-functionality, systemic valuation, scale mismatch of ecosystem services, and inequity and injustice. The framework illustrates the importance of coordinating natural, technological, and socio-economic systems when designing, planning, and managing urban nature-based solutions to enable optimal social-ecological outcomes