gpaw-tools – higher-level user interaction scripts for GPAW calculations and interatomic potential based structure optimization

Improved empirical interatomic potential for C-Si-H systems

Molecular Physics ◽

10.1080/002689799164432 ◽

1999 ◽

Vol 96 (10) ◽

pp. 1491-1507 ◽

Cited By ~ 7

Author(s):

A. J. DYSON, P. V. SMITH

Keyword(s):

Interatomic Potential

Download Full-text

Lead structure optimization of compounds identified to induce differentiation in solid tumors

10.1055/s-0038-1675451 ◽

2018 ◽

Author(s):

K Esser ◽

A Kulik ◽

A Klinger ◽

E Fleischer ◽

H Neubauer ◽

...

Keyword(s):

Solid Tumors ◽

Structure Optimization ◽

Lead Structure

Download Full-text

Classification of means and methods of the Web semantic retrieval

PROBLEMS IN PROGRAMMING ◽

10.15407/pp2017.01.030 ◽

2017 ◽

pp. 030-050

Author(s):

J.V. Rogushina ◽

Keyword(s):

Search Engines ◽

Domain Knowledge ◽

Information Needs ◽

Web Search ◽

User Interaction ◽

Query Languages ◽

Semantic Search ◽

Semantic Retrieval ◽

The Web

Problems associated with the improve ment of information retrieval for open environment are considered and the need for it’s semantization is grounded. Thecurrent state and prospects of development of semantic search engines that are focused on the Web information resources processing are analysed, the criteria for the classification of such systems are reviewed. In this analysis the significant attention is paid to the semantic search use of ontologies that contain knowledge about the subject area and the search users. The sources of ontological knowledge and methods of their processing for the improvement of the search procedures are considered. Examples of semantic search systems that use structured query languages (eg, SPARQL), lists of keywords and queries in natural language are proposed. Such criteria for the classification of semantic search engines like architecture, coupling, transparency, user context, modification requests, ontology structure, etc. are considered. Different ways of support of semantic and otology based modification of user queries that improve the completeness and accuracy of the search are analyzed. On base of analysis of the properties of existing semantic search engines in terms of these criteria, the areas for further improvement of these systems are selected: the development of metasearch systems, semantic modification of user requests, the determination of an user-acceptable transparency level of the search procedures, flexibility of domain knowledge management tools, increasing productivity and scalability. In addition, the development of means of semantic Web search needs in use of some external knowledge base which contains knowledge about the domain of user information needs, and in providing the users with the ability to independent selection of knowledge that is used in the search process. There is necessary to take into account the history of user interaction with the retrieval system and the search context for personalization of the query results and their ordering in accordance with the user information needs. All these aspects were taken into account in the design and implementation of semantic search engine "MAIPS" that is based on an ontological model of users and resources cooperation into the Web.

Download Full-text