WaveTrain: A Python package for numerical quantum mechanics of chain-like systems based on tensor trains.

WaveTrain is an open-source software for numerical simulations of chain-like quantum systems with nearest-neighbor (NN) interactions only. The Python package is centered around tensor train (TT, or matrix product) format representations of Hamiltonian operators and (stationary or time-evolving) state vectors. It builds on the Python tensor train toolbox Scikit_tt, which provides efficient construction methods and storage schemes for the TT format.

Simulation of a Particle Domain in a Continuum, Fluctuating Hydrodynamics Reservoir.

In molecular simulation and fluid mechanics, the coupling of a particle domain with a continuum representation of its embedding environment is an ongoing challenge. In this Letter, we show a novel approach where the latest version of the adaptive resolution scheme (AdResS), with noninteracting tracers as particles' reservoir, is combined with a fluctuating hydrodynamics (FHD) solver. The resulting algorithm, supported by a solid mathematical model, allows for a physically consistent exchange of matter and energy between the particle domain and its fluctuating continuum reservoir.

Solving the time-independent Schrödinger equation for chains of coupled excitons and phonons using tensor trains.

We demonstrate how to apply the tensor-train format to solve the time-independent Schrödinger equation for quasi-one-dimensional excitonic chain systems with and without periodic boundary conditions. The coupled excitons and phonons are modeled by Fröhlich-Holstein type Hamiltonians with on-site and nearest-neighbor interactions only. We reduce the memory consumption as well as the computational costs significantly by employing efficient decompositions to construct low-rank tensor-train representations, thus mitigating the curse of dimensionality.

Adolescent exposure to cannabis marketing following recreational cannabis legalization in Canada: A pilot study using ecological momentary assessment.

Objective: The goal of this pilot study was to assess the feasibility of a 9-day, smartphone-based ecological momentary assessment (EMA) protocol for tracking the frequency of Canadian adolescents' exposures to cannabis marketing, their reactions to such exposures, and the context in which exposures occur in the real-world and in real-time.

Method: Participants were n = 18 adolescents between the ages of 14 and 18 years of age. They used an EMA application to capture and describe cannabis marketing exposures through photographs and brief questionnaires assessing marketing channel and context.

Age and engine displacement are associated with unsafe motorcycle rider actions.

Background: Our goal was to examine the relationship between age and engine displacement in cubic centimeters (CCs) and crash responsibility.

Methods: Male motorcyclists, aged 16-94, involved in a fatal crash in the United States (1987-2015) who tested negative for both drugs and alcohol were included. Employing a case control design, cases had committed one or more Unsafe Motorcyclist Actions (UMAs), the proxy measure of responsibility; controls had no UMAs recorded.

WavePacket: A Matlab package for numerical quantum dynamics. III. Quantum-classical simulations and surface hopping trajectories.

WavePacket is an open-source program package for numerical simulations in quantum dynamics. Building on the previous Part I (Schmidt and Lorenz, Comput. Phys.

Adaptive molecular resolution approach in Hamiltonian form: An asymptotic analysis.

Adaptive molecular resolution approaches in molecular dynamics are becoming relevant tools for the analysis of molecular liquids characterized by the interplay of different physical scales. The essential difference among these methods is in the way the change of molecular resolution is made in a buffer (transition) region. In particular a central question concerns the possibility of the existence of a global Hamiltonian which, by describing the change of resolution, is at the same time physically consistent, mathematically well defined, and numerically accurate.

Competitiveness facets and sensation seeking as predictors of problem gambling among a sample of university student gamblers.

Understanding the factors that contribute to problem gambling (PG) is imperative. Individual differences in sensation seeking (SS), as measured by the Sensation Seeking Scale Form (SSS-V), have been found to be predictive of PG among university student samples. However, what is less clear, is if the four SSS-V subscales capture unique facets of SS that are particularly predictive of PG.

Mindfulness-based cognitive therapy reduces symptoms of depression in people with a traumatic brain injury: results from a randomized controlled trial.

Objective: We sought to determine if we could reduce symptoms of depression in individuals with a traumatic brain injury using mindfulness-based cognitive therapy.

Setting: The study was conducted in a community setting.

Participants: We enrolled adults with symptoms of depression after a traumatic brain injury.

Mindfulness-based cognitive therapy: benefits in reducing depression following a traumatic brain injury.

Context: Current therapies for traumatic brain injury (TBI) include pharmacotherapy, psychotherapy, and cognitive rehabilitation. Unfortunately, psychological and emotional issues regularly go untreated in individuals with TBI even after they receive treatment for physical, behavioral, and cognitive issues. Mindfulness-based cognitive therapy (MBCT) may offer new rehabilitation opportunities for individuals with TBI.

Predicting attention and avoidance: when do avoiders attend?

Three avoidance measures, the Miller Behavioural Style Scale (MBSS), Index of Self-Regulation of Emotion (ISE) and Mainz Coping Inventory (MCI), were compared in their ability to predict attention and avoidance of threats in the emotional Stroop task. It was also examined if the avoidance mechanism of individuals who would normally avoid threat-indicating words becomes disrupted under conditions of dopamine reduction. Results show that only the ISE predicted attention/avoidance of threat-indicating words.

A method for computing the fraction of attributable risk related to climate damages.

The recent decision of the U.S. Supreme Court on the regulation of CO2 emissions from new motor vehicles shows the need for a robust methodology to evaluate the fraction of attributable risk from such emissions.

Renal impairment and medication use among psychogeriatric inpatients.

Objectives: To determine the prevalence of renal impairment and the dosage appropriateness of several medications for which dosing guidelines in the advent of renal impairment are available.

Method: The authors assessed the renal function and medication use of 37 psychogeriatric patients (mean age of 75 years) living in a psychiatric hospital. Renal function was determined by serum creatinine (SCr) levels and creatinine clearance (CCr) data using the Cockcroft and Gault equation.

Pilot evaluation of a mindfulness-based intervention to improve quality of life among individuals who sustained traumatic brain injuries.

Primary Objective: To examine the potential efficacy of a mindfulness-based stress reduction approach to improve quality of life in individuals who have suffered traumatic brain injuries.

Research Design: Pre-post design with drop-outs as controls.

Methods And Procedures: We recruited individuals with mild to moderate brain injuries, at least 1 year post-injury.