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Title: Global smoothing and continuation for large-scale molecular optimization

Abstract

We discuss the formulation of optimization problems that arise in the study of distance geometry, ionic systems, and molecular clusters. We show that continuation techniques based on global smoothing are applicable to these molecular optimization problems, and we outline the issues that must be resolved in the solution of large-scale molecular optimization problems.

Authors:
;
Publication Date:
Research Org.:
Argonne National Lab., IL (United States). Mathematics and Computer Science Div.
Sponsoring Org.:
USDOE, Washington, DC (United States)
OSTI Identifier:
221915
Report Number(s):
MCS-P-539-1095; CONF-9507228-1
ON: DE96007028
DOE Contract Number:
W-31109-ENG-38
Resource Type:
Conference
Resource Relation:
Conference: IMA workshop on large scale optimization and applications, Minneapolis, MN (United States), 10-28 Jul 1995; Other Information: PBD: Oct 1995
Country of Publication:
United States
Language:
English
Subject:
55 BIOLOGY AND MEDICINE, BASIC STUDIES; 99 MATHEMATICS, COMPUTERS, INFORMATION SCIENCE, MANAGEMENT, LAW, MISCELLANEOUS; MOLECULAR CLUSTERS; COMPUTER CALCULATIONS; MOLECULES; MOLECULAR BIOLOGY; ALGORITHMS; TRANSFORMATIONS; GAUSS FUNCTION

Citation Formats

More, J.J., and Wu, Zhijun. Global smoothing and continuation for large-scale molecular optimization. United States: N. p., 1995. Web.
More, J.J., & Wu, Zhijun. Global smoothing and continuation for large-scale molecular optimization. United States.
More, J.J., and Wu, Zhijun. Sun . "Global smoothing and continuation for large-scale molecular optimization". United States. doi:. https://www.osti.gov/servlets/purl/221915.
@article{osti_221915,
title = {Global smoothing and continuation for large-scale molecular optimization},
author = {More, J.J. and Wu, Zhijun},
abstractNote = {We discuss the formulation of optimization problems that arise in the study of distance geometry, ionic systems, and molecular clusters. We show that continuation techniques based on global smoothing are applicable to these molecular optimization problems, and we outline the issues that must be resolved in the solution of large-scale molecular optimization problems.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun Oct 01 00:00:00 EDT 1995},
month = {Sun Oct 01 00:00:00 EDT 1995}
}

Conference:
Other availability
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