Publications by authors named "Desbiens N"

Article Synopsis
  • - Molecular dynamics is like a numerical experiment that requires error bars for results, but determining these can be tough and resource-intensive.
  • - This study introduces a low-cost method called the bootstrap (BS) to measure uncertainties in time correlation functions, using the autocorrelation functions of velocity and interdiffusion current in a binary ionic mixture as an example.
  • - The research compares the BS method with the replica method to evaluate errors from phase space sampling and explores how BS can help manage issues related to finite-size effects.
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Transport properties of mixtures of elements in the dense plasma regime play an important role in natural astrophysical and experimental systems, e.g., inertial confinement fusion.

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We show that the Bayesian inference of recently measured x-ray diffraction spectra from laser-shocked aluminum [L. B. Fletcher et al.

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We present a simple, fast, and promising method to compute the melting curves of materials with ab initio molecular dynamics. It is based on the two-phase thermodynamic model of Lin et al [J. Chem.

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Background: Lifelong learning is an integral component of practice-based learning and improvement. Physicians need to be lifelong learners to provide timely, efficient, and state-of-the-art patient care in an environment where knowledge, technology, and social requirements are rapidly changing.

Objectives: To assess graduates' self-reported perception of the usefulness of a residency program requirement to submit a narrative report describing their planned educational modalities for their future continued medical learning ("Education for Life" requirement), and to compare the modalities residents intended to use with their reported educational activities.

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In the field of detonation science or shock physics, predicting the thermo- dynamic properties and chemical compositions of detonation products of CHON systems (outcome of the decomposition of explosives) over a wide range of temperature and pressure with a very small computational cost is of great importance. Thermochemical codes such as the CARTE code use several methods published in the literature to compute the properties of these CHON systems. In this work, we evaluate the accuracy of the recently improved KLRR perturbation method and we propose a new mixing rule to reduce the fluid mixture to an effective pure fluid.

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We compute the Hugoniot curves of both neat triaminotrinitrobenzene (TATB) and its detonation products mixture using atomistic simulation tools. To compute the Hugoniot states, we adapted our sampling constraints in average (SCA) method (Maillet et al. Appl.

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Background: Available evidence suggests that international medical graduates have improved the availability of U.S. health care while maintaining academic standards.

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The thermodynamic behavior of the carbon dioxide + nitrogen dioxide (CO2 + NO2) mixture was investigated using a Monte Carlo molecular simulation approach. This system is a particularly challenging one because nitrogen dioxide exists as a mixture of monomers (NO2) and dimers (N2O4) under certain pressure and temperature conditions. The chemical equilibrium between N2O4 and 2NO2 and the vapor-liquid equilibrium of CO2 + NO2/N2O4 mixtures were simulated using simultaneously the reaction ensemble and the Gibbs ensemble Monte Carlo (RxMC and GEMC) methods.

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Background: The National Kidney Foundation recommends reporting estimates of glomerular filtration rate (eGFR) rather than timed urine collections. When 2 of the 3 major hospitals in our region began reporting eGFR at different times we recognized a natural experiment.

Methods: We conducted a retrospective, observational study at the 3 major hospitals in Chattanooga, Tennessee.

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An approach is proposed to obtain the equation of state of unreactive shocked liquid nitromethane. Unlike previous major works, this equation of state is not based on extended integration schemes [P.C.

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Background: Residency programs must demonstrate resident and faculty involvement in scholarly activity. One acceptable method is delivering presentations at scientific meetings.

Description: A prospective database and retrospective search of all prior presentations.

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In this paper, thermodynamic and chemical properties of nitromethane are investigated using microscopic simulations. The Hugoniot curve of the inert explosive is computed using Monte Carlo simulations with a modified version of the adaptative Erpenbeck equation of state and a recently developed intermolecular potential. Molecular dynamic simulations of nitromethane decomposition have been performed using a reactive potential, allowing the calculation of kinetic rate constants and activation energies.

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There has been much recent interest in improving the quality and reporting of clinical research. Major journals now require clinical trialists to register studies a priori and follow specific reporting guidelines. While best developed for randomized, controlled trials, guidelines for other study types are being developed.

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Objective: The algorithms provided for advanced cardiac life support by the American Heart Association and the European Resuscitation Council Guidelines for Resuscitation for the diagnosis and treatment of pulseless electrical activity (PEA) correctly stress the importance of searching for potentially treatable causes, and suggest contributing factors that should be considered. This study sought evidence to support the factors that they mention in the algorithms.

Data Source: Human and animal studies in MEDLINE.

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Proper interpretation of the results of the United States Medical Licensing Exam (USMLE) is important for program directors, residents, and faculty who advise applicants about applying for residency positions. We suspected that applicants often misinterpreted their performance in relationship to others who took the same examination. In 2005, 54 consecutive applicants to the University of Tennessee, College of Medicine internal medicine residency program were asked to complete a brief survey about their performance on Parts 1 and 2 of the USMLE exam.

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In this work, we used simultaneously the reaction ensemble Monte Carlo (ReMC) method and the adaptive Erpenbeck equation of state (AE-EOS) method to directly calculate the thermodynamic and chemical equilibria of mixtures of detonation products on the Hugoniot curve. The ReMC method [W. R.

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We report a joint experimental and molecular simulation study of water condensation in silicalite-1 zeolite. A sample was synthesized using the fluoride route and was found to contain essentially no defects. A second sample synthesized using the hydroxide route was found to contain a small amount of silanol groups.

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Background: There is confusion in the medical literature as to whether statistics should be reported in survey studies that query an entire population, as is often done in educational studies. Our objective was to determine how often statistical tests have been reported in such articles in two prominent journals that publish these types of studies.

Methods: For this observational study, we used electronic searching to identify all survey studies published in Academic Medicine and the Journal of General Internal Medicine in which an entire population was studied.

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Introduction: A 45-year-old female presented with 8 hours of right lower extremity pain and dyspnea. She was tachycardic and her right lower extremity was dusky, cold, and pulseless.

Discussion: Computerized tomography of the venous and arterial systems revealed massive pulmonary embolism and right lower extremity arterial and left lower extremity venous thromboses.

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Introduction: The Merci Retrieval System was cleared for use in patients with stroke in August 2004. However, there are few published results of "real world experience" with the device.

Methods: We captured single-center data on 25 consecutive patients with acute ischemic stroke treated with the Merci Retrieval System according to the MERCI trial except that we treated some patients with tandem proximal carotid and intracranial lesions with carotid angioplasty and stenting and some patients were treated within the 3-hour window.

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Background: Medical knowledge is essential for appropriate patient care; however, the accuracy of internal medicine (IM) residents' assessment of their medical knowledge is unknown.

Methods: IM residents predicted their overall percentile performance 1 week (on average) before and after taking the in-training exam (ITE), an objective and well accepted method to assess medical knowledge to study resident assessment accuracy. Ordinary least squares regression was used to study the association between the absolute accuracy of their predictions of their percentile performance on the ITE examination and their actual percentile performance.

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