How to validate machine-learned interatomic potentials

Machine learning (ML) approaches enable large-scale atomistic simulations with near-quantum-mechanical accuracy. With the growing availability of these methods there arises a need for careful validation, particularly for physically agnostic models - that is, for potentials which extract the nature of atomic interactions from reference data. Here, we review the basic principles behind ML potentials and their validation for atomic-scale materials modeling. We discuss best practice in defining error metrics based on numerical performance as well as physically guided validation. We give specific recommendations that we hope will be useful for the wider community, including those researchers who intend to use ML potentials for materials "off the shelf"

Concepts in Animal Parasitology, Chapter 15: Introduction to Endoparasitic Platyhelminths (Phylum Platyhelminthes)

Chapter 15 in Concepts in Animal Parasitology, an introduction to endoparasitic platyhelminths, by Larry S. Roberts, John J. Janovy, Jr., Steve Nadler, and Scott L. Gardner. 2024. S. L. Gardner and S. A. Gardner, editors. Zea Books, Lincoln, Nebraska, United States. doi: 10.32873/unl.dc.ciap01

Concepts in Animal Parasitology, Chapter 50: Ascaridoidea (Superfamily): Large Intestinal Nematodes

Chapter 50 in Concepts in Animal Parasitology on the large intestinal nematodes in the superfamily Ascaridoidea by Larry S. Roberts, John J. Janovy, Jr., Steven Nadler, and Scott L. Gardner. 2024. S. L. Gardner and S. A. Gardner, editors. Zea Books, Lincoln, Nebraska, United States. doi: 10.32873/unl.dc.ciap05

Concepts in Animal Parasitology, Chapter 56: Strongyloidea and Trichostrongyloidea (Superfamilies): Bursate Nematodes

Chapter 56 in Concepts in Animal Parasitology on the bursate nematodes in the superfamilies Strongyloidea and Trichostrongyloidea by Larry S. Roberts, John J. Janovy, Jr., Steven Nadler, Valentin Radev, and Scott L. Gardner. 2024. S. L. Gardner and S. A. Gardner, editors. Zea Books, Lincoln, Nebraska, United States. doi: 10.32873/unl.dc.ciap05

A New Application to Facilitate Post-Fire Recovery and Rehabilitation in Savanna Ecosystems

The U.S. government spends an estimated $3billion per year to fight forest fires in the United States. Post-fire rehabilitation activities represent a small but essential portion of that total. The Rehabilitation Capability Convergence for Ecosystem Recovery (RECOVER) system is currently under development for Savanna ecosystems in the western U.S. The prototype of this system has been built and will have realworld testing during the summer 2013 fire season. When fully deployed, the RECOVER system will provide the emergency rehabilitation teams with critical and timely information for management decisions regarding stabilization and rehabilitation strategies

Media and Repository Support Unit, University of Nebraska–Lincoln Libraries, Annual Report July 2018–June 2019

Increasingly, libraries are recognizing the importance of providing access to the research output of their universities. In a June 10, 2019, news release from the provosts of the Big Ten Academic Alliance (BTAA) titled “Sustaining Values and Scholarship” (available at https://tinyurl.com/yyu94aa9), they state, “The Big Ten Academic Alliance will continue its advocacy for a sustainable and open ecosystem of publication. . . . Collectively, our institutions’ more than 50,000 faculty are supported by over $10 billion (2017) in research funding, and our institutions have similarly invested significantly in our capacity to further our missions to advance knowledge. Together, we produce roughly 15% of the research publications in the United States.” This commitment to open information is reflected in the mission of the Media and Repository Support (MARS) unit of the UNL Libraries. We support the creation and preservation of the scholarly accomplishments of the University of Nebraska–Lincoln by providing an infrastructure for disseminating information and scholarship through Digital Commons (articles, reports, journals, books, and more), Luna (multimedia projects), and Rosetta (data) as well as by providing equipment that students and faculty can check out to capture video and digital images. Through our efforts, the intellectual contributions of UNL are provided, when possible, as open access to disseminate information to as wide a community as possible. We provide advice and consult with researchers and students on scholarly communication issues surrounding open education resources, copyright, options for rights management, publication, and preservation of information in coordination with other faculty and staff in the Libraries. We maintain close contact with staff from Archives & Special Collections to ensure that nondigital information is not overlooked in preservation plans. Faculty within the unit have developed close relationships with the UNL Office of Research, faculty across our campus, and colleagues at the other University of Nebraska campuses (through the University of Nebraska Consortium of Libraries, UNCL)

Construction and Assembly of the Wire Planes for the MicroBooNE Time Projection Chamber

In this paper we describe how the readout planes for the MicroBooNE Time Projection Chamber were constructed, assembled and installed. We present the individual wire preparation using semi-automatic winding machines and the assembly of wire carrier boards. The details of the wire installation on the detector frame and the tensioning of the wires are given. A strict quality assurance plan ensured the integrity of the readout planes. The different tests performed at all stages of construction and installation provided crucial information to achieve the successful realisation of the MicroBooNE wire planes.Comment: 24 pages, 22 figures, accepted for publication as Technical Report in JINS

A nationwide, population‐based study on specialized care for acute heart failure throughout the COVID‐19 pandemic

Aims - The COVID-19 pandemic disrupted the delivery of care for patients with heart failure (HF), leading to fewer HF hospitalizations and increased mortality. However, nationwide data on quality of care and long-term outcomes across the pandemic are scarce.Methods and results - We used data from the National Heart Failure Audit (NHFA) linked to national records for hospitalization and deaths. We compared pre-COVID (2018–2019), COVID (2020), and late/post-COVID (2021–2022) periods. Data for 227 250 patients admitted to hospital with HF were analysed and grouped according to the admission year and the presence of HF with (HFrEF) or without reduced ejection fraction (non-HFrEF). The median age at admission was 81 years (interquartile range 72–88), 55% were men (n = 125 975), 87% were of white ethnicity (n = 102 805), and 51% had HFrEF (n = 116 990). In-hospital management and specialized cardiology care were maintained throughout the pandemic with an increasing percentage of patients discharged on disease-modifying medications over time (p &lt; 0.001). Long-term outcomes improved over time (hazard ratio [HR] 0.92, 95% confidence interval [CI] 0.90–0.95, p &lt; 0.001), mainly driven by a reduction in cardiovascular death. Receiving specialized cardiology care was associated with better long-term outcomes both for those who had HFrEF (HR 0.79, 95% CI 0.77–0.82, p &lt; 0.001) and for those who had non-HFrEF (HR 0.87, 95% CI 0.85–0.90, p &lt; 0.001).Conclusions - Despite the disruption of healthcare systems, the clinical characteristics of patients admitted with HF were similar and the overall standard of care was maintained throughout the pandemic. Long-term survival of patients hospitalized with HF continued to improve after COVID-19, especially for HFrEF.<br/