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

2022 ◽  
Vol 204 ◽  
pp. 111201
Sefer Bora Lisesivdin ◽  
Beyza Sarikavak-Lisesivdin
1999 ◽  
Vol 96 (10) ◽  
pp. 1491-1507 ◽  

2018 ◽  
K Esser ◽  
A Kulik ◽  
A Klinger ◽  
E Fleischer ◽  
H Neubauer ◽  

2017 ◽  
pp. 030-050
J.V. Rogushina ◽  

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.

2021 ◽  
Munira Sibai ◽  
Daisaku Inoyama ◽  
Tom G. Stoumbos ◽  
Rakesh K. Kapania

Goh Eg Su ◽  
Mohd Sharizal Sunar ◽  
Rino Andias ◽  
Ajune Wanis Ismail ◽  

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