2,301 research outputs found
Supply Chain Management Overview: A Global Team Effort
Supply chains have eliminated U.S. manufacturing jobs but created many new jobs coordinating supply chain efforts.supply chain management
The Impact of Childhood Sexual Abuse on Sexual Satisfaction through Sexual Shame and the Moderating Role of Self Forgiveness
Graduate
Applie
Questions and Answers: Nissan Case Study
A Nissan spokesperson responds to questions about the company’s supply chain issues.supply chain management
Accurate densities of states for disordered systems from free probability: Live Free or Diagonalize
We investigate how free probability allows us to approximate the density of
states in tight binding models of disordered electronic systems. Extending our
previous studies of the Anderson model in neighbor interactions [J. Chen et
al., Phys. Rev. Lett. 109, 036403 (2012)], we find that free probability
continues to provide accurate approximations for systems with constant
interactions on two- and three-dimensional lattices or with
next-nearest-neighbor interactions, with the results being visually
indistinguishable from the numerically exact solution. For systems with
disordered interactions, we observe a small but visible degradation of the
approximation. To explain this behavior of the free approximation, we develop
and apply an asymptotic error analysis scheme to show that the approximation is
accurate to the eighth moment in the density of states for systems with
constant interactions, but is only accurate to sixth order for systems with
disordered interactions. The error analysis also allows us to calculate
asymptotic corrections to the density of states, allowing for systematically
improvable approximations as well as insight into the sources of error without
requiring a direct comparison to an exact solution
Interplay of water and a supramolecular capsule for catalysis of reductive elimination reaction from gold.
Supramolecular assemblies have gained tremendous attention due to their ability to catalyze reactions with the efficiencies of natural enzymes. Using ab initio molecular dynamics, we identify the origin of the catalysis by the supramolecular capsule Ga4L612- on the reductive elimination reaction from gold complexes and assess their similarity to natural enzymes. By comparing the free energies of the reactants and transition states for the catalyzed and uncatalyzed reactions, we determine that an encapsulated water molecule generates electric fields that contributes the most to the reduction in the activation free energy. Although this is unlike the biomimetic scenario of catalysis through direct host-guest interactions, the electric fields from the nanocage also supports the transition state to complete the reductive elimination reaction with greater catalytic efficiency. However it is also shown that the nanocage poorly organizes the interfacial water, which in turn creates electric fields that misalign with the breaking bonds of the substrate, thus identifying new opportunities for catalytic design improvements in nanocage assemblies
Person-specific theory of mind in medial pFC
Although research on theory of mind has strongly implicated the dorsomedial pFC (incuding medial BA 8 and BA 9), the unique contributions of medial pFC (MPFC; corresponding to medial BA 10) to mentalizing remain uncertain. The extant literature has considered the possibility that these regions may be specialized for self-related cognition or for reasoning about close others, but evidence for both accounts has been inconclusive. We propose a novel theoretical framework: MPFC selectively implements "person-specific theories of mind" (ToMp) representing the unique, idiosyncratic traits or attributes of well-known individuals. To test this hypothesis, we used fMRI to assess MPFC responses in Democratic and Republican participants as they evaluated more or less subjectively well-known political figures. Consistent with the ToMp account, MPFC showed greater activity to subjectively well-known targets, irrespective of participants' reported feelings of closeness or similarity. MPFC also demonstrated greater activity on trials in which targets (whether politicians or oneself) were judged to be relatively idiosyncratic, making a generic theory of mind inapplicable. These results suggest that MPFC may supplement the generic theory of mind process, with which dorsomedial pFC has been associated, by contributing mentalizing capacities tuned to individuated representations of specific well-known others
Even-handed subsystem selection in projection-based embedding
Projection-based embedding offers a simple framework for embedding correlated wavefunction methods in density functional theory. Partitioning between the correlated wavefunction and density functional subsystems is performed in the space of localized molecular orbitals. However, during a large geometry change—such as a chemical reaction—the nature of these localized molecular orbitals, as well as their partitioning into the two subsystems, can change dramatically. This can lead to unphysical cusps and even discontinuities in the potential energy surface. In this work, we present an even-handed framework for localized orbital partitioning that ensures consistent subsystems across a set of molecular geometries. We illustrate this problem and the even-handed solution with a simple example of an S_N2 reaction. Applications to a nitrogen umbrella flip in a cobalt-based CO_2 reduction catalyst and to the binding of CO to Cu clusters are presented. In both cases, we find that even-handed partitioning enables chemically accurate embedding with modestly sized embedded regions for systems in which previous partitioning strategies are problematic
Disconfirmation modulates the neural correlates of the false consensus effect: A parametric modulation approach
The false consensus effect (FCE) - the tendency to (erroneously) project our attitudes and opinions onto others - is an enduring bias in social reasoning with important societal implications. In this fMRI investigation, we examine the neural correlates of within-subject variation in consensus bias on a variety of social and political issues. Bias demonstrated a strong association with activity in brain regions implicated in self-related cognition, mentalizing, and valuation. Importantly, however, recruitment of these regions predicted consensus bias only in the presence of social disconfirmation, in the form of feedback discrepant with participants' own attitudes. These results suggest that the psychological and neural mechanisms underlying the tendency to project attitudes onto others are crucially moderated by motivational factors, including the desire to affirm the normativity of one's own position. This research complements social psychological theorizing about the factors contributing to the FCE, and further emphasizes the role of motivated cognition in social reasoning
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