Results 31 to 40 of about 1,690,857 (293)
npj Computational Materials, 2022 Computational materials discovery efforts are enabled by large databases of properties derived from high-throughput density functional theory (DFT), which now contain millions of calculations at the generalized gradient approximation (GGA) level of ...
Ryan S. Kingsbury +8 more
doaj +1 more source
First-principles thermodynamic modeling of atomic ordering in yttria-stabilized zirconia [PDF]
, 2010 Yttria-stabilized zirconia YSZ is modeled using a cluster expansion statistical thermodynamics method built upon a density-functional theory database. The reliability of cluster expansions in predicting atomic ordering is explored by comparing with the
Dalach, P. +2 more
core +1 more source
Social Choice Methods for Database Aggregation [PDF]
Electronic Proceedings in Theoretical Computer Science, 2019 Knowledge can be represented compactly in multiple ways, from a set of propositional formulas, to a Kripke model, to a database. In this paper we study the aggregation of information coming from multiple sources, each source submitting a database ...
Francesco Belardinelli, Umberto Grandi
doaj +1 more source
Application of complexity theory in health and social care research: a scoping review
BMJ Open, 2023 Background Complexity theory has been chosen by many authors as a suitable lens through which to examine health and social care. Despite its potential value, many empirical investigations apply the theory in a tokenistic manner without engaging with its ...
Áine Carroll +4 more
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Application of Information—Theoretic Concepts in Chemoinformatics
Information, 2010 The use of computational methodologies for chemical database mining and molecular similarity searching or structure-activity relationship analysis has become an integral part of modern chemical and pharmaceutical research.
Jürgen Bajorath +2 more
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Memory vectors for similarity search in high-dimensional spaces [PDF]
, 2017 We study an indexing architecture to store and search in a database of high-dimensional vectors from the perspective of statistical signal processing and decision theory.
Furon, Teddy +4 more
core +5 more sources
A tool-mediated cognitive apprenticeship approach for a computer engineering course [PDF]
, 2003 Teaching database engineers involves a variety of learning activities. A strong focus is on practical problems that go beyond the acquisition of knowledge. Skills and experience are equally important.
Murray, Sarah, Pahl, Claus, Ryan, James
core
Pediatric Blood &Cancer, EarlyView.ABSTRACT Purpose Although not always achieved, complete chemotherapy‐induced nausea and vomiting (CINV) control is the conventional goal of CINV prophylaxis. In this two‐center, mixed‐methods study, we sought to understand the preferences of adolescent patients and family caregivers for CINV control endpoints.
Haley Newman +8 more
wiley +1 more source
A machine learning framework for elastic constants predictions in multi-principal element alloys
APL Machine Learning, 2023 On the one hand, multi-principal element alloys (MPEAs) have created a paradigm shift in alloy design due to large compositional space, whereas on the other, they have presented enormous computational challenges for theory-based materials design ...
Nathan Linton, Dilpuneet S. Aidhy
doaj +1 more source
Defence Technology, 2022 Loitering munitions are increasingly used in armed conflicts. An extensive database of loitering munitions is developed based on information available in the public domain.
Mark Voskuijl
doaj +1 more source