How Accurate Is Density Functional Theory at Predicting Dipole Moments? An Assessment Using a New Database of 200 Benchmark Values. [PDF]
Journal of Chemical Theory and Computation, 2017 Dipole moments are a simple, global measure of the accuracy of the electron density of a polar molecule. Dipole moments also affect the interactions of a molecule with other molecules as well as electric fields.
D. Hait, M. Head‐Gordon
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A fast quantum mechanical algorithm for database search [PDF]
Symposium on the Theory of Computing, 1996 were proposed in the early 1980’s [Benioff80] and shown to be at least as powerful as classical computers an important but not surprising result, since classical computers, at the deepest level, ultimately follow the laws of quantum mechanics.
Lov K. Grover
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RESEARCH OF METHODS TO SUPPORT DATA MIGRATION BETWEEN RELATIONAL AND DOCUMENT DATA STORAGE MODELS
Сучасний стан наукових досліджень та технологій в промисловості, 2022 The subject matter of the article is heterogeneous model-inhomogeneous data migration between relational and document-oriented data storage models, existing strategies and methods to support such migrations, the use of relational algebra and set theory ...
Mariia Peretiatko +2 more
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The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals [PDF]
2D Materials, 2018 We introduce the Computational 2D Materials Database (C2DB), which organises a variety of structural, thermodynamic, elastic, electronic, magnetic, and optical properties of around 1500 two-dimensional materials distributed over more than 30 different ...
Sten Haastrup +14 more
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Teaching Method for Entity–Relationship Models Based on Semantic Network Theory
IEEE Access, 2022 Students in database courses often have difficulty learning entity–relationship (ER) modeling. According to semantic network theory, learning to construct an ER diagram for a database problem requires complex semantic transformations between the ...
Shin-Shing Shin
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Belnap-Dunn Logic and Query Answering in Inconsistent Databases with Null Values
Scientific Annals of Computer Science, 2023 This paper concerns an expansion of first-order Belnap-Dunn logic, called BD^{\supset,F}_{\bot}, and an application of this logic in the area of relational database theory. The notion of a relational database, the notion of a query applicable to
Cornelis A. Middelburg
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Tallo: A global tree allometry and crown architecture database
Global Change Biology, 2022 Data capturing multiple axes of tree size and shape, such as a tree's stem diameter, height and crown size, underpin a wide range of ecological research—from developing and testing theory on forest structure and dynamics, to estimating forest carbon ...
T. Jucker +118 more
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Networked Heritage Management in the Lower Guadalquivir (Spain)
Heritage, 2023 This paper describes the operations carried out to generate a georeferenced heritage inventory at a supra-municipal scale. The tool establishes links between its heritage elements based on the features and characteristics of the territory.
Marina López Sánchez +1 more
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Tractable Circuits in Database Theory [PDF]
SIGMOD recordThis work reviews how database theory uses tractable circuit classes from knowledge compilation. We present relevant query evaluation tasks, and notions of tractable circuits.
Antoine Amarilli, Florent Capelli
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A formal model for ledger management systems based on contracts and temporal logic
Blockchain: Research and Applications, 2022 A key component of blockchain technology is the ledger, viz., a database that, unlike standard databases, keeps in memory the complete history of past transactions as in a notarial archive for the benefit of any future test.
Paolo Bottoni +2 more
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