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Träfflista för sökning "WFRF:(Horton Matthew) srt2:(2020-2024)"

Sökning: WFRF:(Horton Matthew) > (2020-2024)

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1.
  • Andersen, Casper W., et al. (författare)
  • OPTIMADE, an API for exchanging materials data
  • 2021
  • Ingår i: Scientific Data. - : Nature Portfolio. - 2052-4463. ; 8:1
  • Tidskriftsartikel (refereegranskat)abstract
    • The Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible and interoperable. We outline the first stable release of the specification, v1.0, which is already supported by many leading databases and several software packages. We illustrate the advantages of the OPTIMADE API through worked examples on each of the public materials databases that support the full API specification.
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2.
  • Read, Janet, et al. (författare)
  • Children and Emerging Technologies: Ethical and Practical Research and Design
  • 2024
  • Ingår i: CHI 2024 - Extended Abstracts of the 2024 CHI Conference on Human Factors in Computing Sytems. - : Association for Computing Machinery (ACM).
  • Konferensbidrag (refereegranskat)abstract
    • Child Computer Interaction is concerned with the research, design, and evaluation of interactive technologies for children. Working with children in HCI is rewarding and fun but managing that work so that children are kept comfortable and can participate in meaningful ways is not always easy. This course will provide attendees with practical tips to organise sessions with children, with signposts to methods for research, design and evaluation and will specifically consider the ethics of children's participation with checklists to support us in doing our most ethical work possible. Our focus on emerging technologies makes this course especially valuable to those looking at AI, robots, XR and related technologies.
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3.
  • Smith, Daniel G. A., et al. (författare)
  • Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine) : Automation and interoperability among computational chemistry programs
  • 2021
  • Ingår i: Journal of Chemical Physics. - : American Institute of Physics (AIP). - 0021-9606 .- 1089-7690. ; 155:20
  • Tidskriftsartikel (refereegranskat)abstract
    • Community efforts in the computational molecular sciences (CMS) are evolving toward modular, open, and interoperable interfaces that work with existing community codes to provide more functionality and composability than could be achieved with a single program. The Quantum Chemistry Common Driver and Databases (QCDB) project provides such capability through an application programming interface (API) that facilitates interoperability across multiple quantum chemistry software packages. In tandem with the Molecular Sciences Software Institute and their Quantum Chemistry Archive ecosystem, the unique functionalities of several CMS programs are integrated, including CFOUR, GAMESS, NWChem, OpenMM, Psi4, Qcore, TeraChem, and Turbomole, to provide common computational functions, i.e., energy, gradient, and Hessian computations as well as molecular properties such as atomic charges and vibrational frequency analysis. Both standard users and power users benefit from adopting these APIs as they lower the language barrier of input styles and enable a standard layout of variables and data. These designs allow end-to-end interoperable programming of complex computations and provide best practices options by default.
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