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Energy minimization

Known as: Energy minimization (energy optimization), Geometry optimization 
In the field of computational chemistry, energy minimization (also called energy optimization, geometry minimization, or geometry optimization) is… 
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Related topics

Related topics

21 relations
Brownian motionComputer visionConjugate gradient methodConstraint Composite Graph

Broader (2)

Computational chemistryOperations research

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2014
2014
A Semiautomatic Extraction of Antarctic Lake Features Using Worldview-2 Imagery
We devised a semiautomatic approach for extracting lake features based on a customized set of normalized difference water index… 
Highly Cited
2011
Highly Cited
2011
Optimized network management for energy savings of wireless access networks
Highly Cited
2004
Highly Cited
2004
On ferroelectric crystals with engineered domain configurations
2004
2004
A hierarchical approach for fast and accurate equilibrium calculation
Highly Cited
2001
Highly Cited
2001
Modeling aspects of mechanisms for reactions catalyzed by metalloenzymes
Different models to treat metal‐catalyzed enzyme reactions are investigated. The test case chosen is the recently suggested full… 
Highly Cited
2000
Highly Cited
2000
Aspects of hybrid QM/MM calculations: The treatment of the QM/MM interface region and geometry optimization with an application to chorismate mutase
The location of stationary points on potential energy surfaces calculated by hybrid quantum mechanical (QM)/molecular mechanical… 
Highly Cited
1996
Highly Cited
1996
Phase transition buoyancy contributions to stresses in subducting lithosphere
The sequence of phase transitions undergone by minerals with increasing depth in Earth's mantle is perturbed within subducting… 
Highly Cited
1994
Highly Cited
1994
Ab initio study of torsional potentials in 2,2’‐bithiophene and 3,4’‐ and 3,3’‐dimethyl‐2,2’‐bithiophene as models of the backbone flexibility in polythiophene and poly(3‐methylthiophene)
Ab initio molecular orbital theory is employed to calculate the gas‐phase barrier to internal rotation in 2,2’‐bithiophene… 
Highly Cited
1993
Highly Cited
1993
Evidence of calcium(2+)-dependent carbohydrate association through ion spray mass spectrometry
The interactions of the cell-surface carbohydrate, Le x (Gal-β-1→4-(Fuc-α-1→3)-GlcNAc) and the Le x -containing glycosphingolipid… 
Highly Cited
1978
Highly Cited
1978
Theoretical determination of molecular structure and conformation. I. The role of basis set and correlation effects in calculations on hydrogen peroxide
Equilibrium structure and barriers to internal rotation of hydrogen peroxide have been accurately determined with the Hartree… 
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