Software integration in multi-scale simulations: The PUPIL system

Journal of Computer-Aided Materials Design

Volumn 13, Issue 1-3, 2006, Pages 201-212

  Torras, J ^a   Deumens, E ^a   Trickey, S B ^a  

^a UNIVERSITY OF FLORIDA   (United States)

Author keywords

Multi scale simulations; QM MM software; Software inter operation

Indexed keywords

ALGORITHMS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; JAVA PROGRAMMING LANGUAGE; MOLECULAR DYNAMICS; OBJECT ORIENTED PROGRAMMING; PATTERN RECOGNITION; PROBLEM SOLVING; QUANTUM THEORY; USER INTERFACES; XML;

COMPUTATIONAL BIOLOGY; ENERGY GRADIENTS; MECHANICAL TREATMENT; SOFTWARE INTER OPERATIONS;

COMPUTER SOFTWARE;

EID: 33749024477     PISSN: 09281045     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10820-006-9011-3     Document Type: Article

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