Database of Wannier tight-binding Hamiltonians using high-throughput density functional theory
Scientific Data, 2021 Measurement(s) material property • electronic band structure Technology Type(s) computational modeling technique Factor Type(s) material Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare ...
Kevin F. Garrity, Kamal Choudhary
doaj +1 more source
Quantum point defects in 2D materials - the QPOD database [PDF]
npj Computational Materials, 2021 Atomically thin two-dimensional (2D) materials are ideal host systems for quantum defects as they offer easier characterisation, manipulation and read-out of defect states as compared to bulk defects.
F. Bertoldo +3 more
semanticscholar +1 more source
A multi-set extended relational algebra: a formal approach to a practical issue [PDF]
, 1993 The relational data model is based on sets of tuples, i.e. it does not allow duplicate tuples an a relation. Many database languages and systems do require multi-set semantics though, either because of functional requirements or because of the high costs
de By, R.A. +2 more
core +11 more sources
On a theory of probabilistic deductive databases [PDF]
Theory and Practice of Logic Programming, 2001 We propose a framework for modeling uncertainty where both belief and doubt can be given independent, first-class status. We adopt probability theory as the mathematical formalism for manipulating uncertainty. An agent can express the uncertainty in her knowledge about a piece of information in the form of a confidence level, consisting of a pair of ...
LAKSHMANAN, LVS, SADRI, F
openaire +3 more sources
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
doaj +1 more source
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
doaj +1 more source
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
semanticscholar +1 more source
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
semanticscholar +1 more source
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
doaj +1 more source
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
semanticscholar +1 more source