Global smoothing and continuation for large-scale molecular optimization
Conference
·
OSTI ID:221915
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.
- Research Organization:
- Argonne National Lab., IL (United States). Mathematics and Computer Science Div.
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- W-31109-ENG-38
- OSTI ID:
- 221915
- Report Number(s):
- MCS-P-539-1095; CONF-9507228-1; ON: DE96007028
- 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
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