Towards breaking the curse of dimensionality in computational methods for the conformational analysis of molecules

Computational methods are required to solve problems without closed-form solutions in environmental and resource economics. Efficiency, stability, and accuracy are key elements for computational methods. This review discusses state-of-the-art computational methods applied in environmental and resource economics, including optimal control methods for deterministic models, advances in value function iteration and time iteration for general dynamic stochastic problems, nonlinear certainty equivalent approximation, robust decision making, real option analysis, bilevel optimization, solution methods for continuous time problems, and so on. This review also clarifies the so-called curse of dimensionality, and discusses some computational techniques such as approximation methods without the curse of dimensionality and time-dependent approximation domains. Many existing economic models use simplifying and/or unrealistic assumptions with an excuse of computational feasibility, but these assumptions might be able to be relaxed if we choose an efficient computational method discussed in this review.

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Conformational analysis of cembrenenol: Application of1H and13C NMR spectroscopy and of computational methods

Magnetic Resonance in Chemistry ◽

10.1002/mrc.1260290815 ◽

1991 ◽

Vol 29 (8) ◽

pp. 834-847 ◽

Cited By ~ 2

Author(s):

P. Bigler ◽

H. R. Bircher ◽

C. Müller ◽

P. R. Gerber ◽

K. Gubernator

Keyword(s):

Nmr Spectroscopy ◽

Conformational Analysis ◽

Computational Methods

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Computational methods for conformational analysis of unsymmetrical 1,3-diamines: 3-aminotropanes

Journal of Computational Chemistry ◽

10.1002/(sici)1096-987x(199910)20:13<1371::aid-jcc4>3.0.co;2-r ◽

1999 ◽

Vol 20 (13) ◽

pp. 1371-1378 ◽

Cited By ~ 1

Author(s):

Anita H. Lewin ◽

Jennifer B. Sorensen ◽

John A. Dustman ◽

J. Phillip Bowen

Keyword(s):

Conformational Analysis ◽

Computational Methods

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Analysis of the conformations of septanoside sugars

Pure and Applied Chemistry ◽

10.1515/pac-2014-0609 ◽

2014 ◽

Vol 86 (9) ◽

pp. 1401-1419 ◽

Cited By ~ 6

Author(s):

Supriya Dey ◽

N. Jayaraman

Keyword(s):

Solid State ◽

Conformational Analysis ◽

Computational Methods ◽

State Solution ◽

Solution Phase ◽

Conformational Properties

AbstractConformational analysis of unnatural seven-membered sugars, namely, septanoses and septanosides are discussed herein. The conformational properties of these sugars in the solid state, solution phase and computational methods are presented. The analyses reveal that conformations of septanosides are diverse and largely unpredictable, as compared furanosides and pyranosides.

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