Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of their simulation, analysis, and data resources. Quantum computing, on the other hand, is an emerging technology with the potential to accelerate many of the computational tasks needed for materials science. In order to do that, the quantum technology must interact with conventional high-performance computing in several ways: approximate results validation, identification of hard problems, and synergies in quantum-centric supercomputing. In this paper, we provide a perspective on how quantum-centric supercomputing can help address critical computational problems in materials science, the challenges to face in order to solve representative use cases, and new suggested directions.Comment: 60 pages, 14 figures; comments welcom

A systematic review of the reporting of Data Monitoring Committees' roles, interim analysis and early termination in pediatric clinical trials

<p>Abstract</p> <p>Background</p> <p>Decisions about interim analysis and early stopping of clinical trials, as based on recommendations of Data Monitoring Committees (DMCs), have far reaching consequences for the scientific validity and clinical impact of a trial. Our aim was to evaluate the frequency and quality of the reporting on DMC composition and roles, interim analysis and early termination in pediatric trials.</p> <p>Methods</p> <p>We conducted a systematic review of randomized controlled clinical trials published from 2005 to 2007 in a sample of four general and four pediatric journals. We used full-text databases to identify trials which reported on DMCs, interim analysis or early termination, and included children or adolescents. Information was extracted on general trial characteristics, risk of bias, and a set of parameters regarding DMC composition and roles, interim analysis and early termination.</p> <p>Results</p> <p>110 of the 648 pediatric trials in this sample (17%) reported on DMC or interim analysis or early stopping, and were included; 68 from general and 42 from pediatric journals. The presence of DMCs was reported in 89 of the 110 included trials (81%); 62 papers, including 46 of the 89 that reported on DMCs (52%), also presented information about interim analysis. No paper adequately reported all DMC parameters, and nine (15%) reported all interim analysis details. Of 32 trials which terminated early, 22 (69%) did not report predefined stopping guidelines and 15 (47%) did not provide information on statistical monitoring methods.</p> <p>Conclusions</p> <p>Reporting on DMC composition and roles, on interim analysis results and on early termination of pediatric trials is incomplete and heterogeneous. We propose a minimal set of reporting parameters that will allow the reader to assess the validity of trial results.</p

Variable Width Splines: A Possible Font Representation?

this paper. Advantages include a good first step toward typographic scaling (stroke width scales independently of overall scale factor), and preservation of topology at low resolutions (minimum stroke width can be enforced). A chief disadvantage is the lack of experience designing fonts in this paradigm, or building routines to convert from other paradigms

Investigating the origins of two extreme solar particle events:proton source profile and associated electromagnetic emissions

Abstract We analyze the high-energy particle emission from the Sun in two extreme solar particle events in which protons are accelerated to relativistic energies and can cause a significant signal even in the ground-based particle detectors. Analysis of a relativistic proton event is based on modeling of the particle transport and interaction, from a near-Sun source through the solar wind and the Earth’s magnetosphere and atmosphere to a detector on the ground. This allows us to deduce the time profile of the proton source at the Sun and compare it with observed electromagnetic emissions. The 1998 May 2 event is associated with a flare and a coronal mass ejection (CME), which were well observed by the Nançay Radioheliograph, thus the images of the radio sources are available. For the 2003 November 2 event, the low corona images of the CME liftoff obtained at the Mauna Loa Solar Observatory are available. Those complementary data sets are analyzed jointly with the broadband dynamic radio spectra, EUV images, and other data available for both events. We find a common scenario for both eruptions, including the flare’s dual impulsive phase, the CME-launch-associated decimetric-continuum burst, and the late, low-frequency type III radio bursts at the time of the relativistic proton injection into the interplanetary medium. The analysis supports the idea that the two considered events start with emission of relativistic protons previously accelerated during the flare and CME launch, then trapped in large-scale magnetic loops and later released by the expanding CME