Skip to search formSkip to main contentSkip to account menu

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… 
Wikipedia (opens in a new tab)

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
2006
Highly Cited
2006
13C Chemical Shift Constrained Crystal Structure Refinement of Cellulose Iα and Its Verification by NMR Anisotropy Experiments
The solid-state NMR assignments of the 13C resonances of bacterial cellulose Iα were reinvestigated by INADEQUATE experiments on… 
Highly Cited
2005
Highly Cited
2005
Effect of mineral phase transitions on sedimentary basin subsidence and uplift
Highly Cited
2004
Highly Cited
2004
On ferroelectric crystals with engineered domain configurations
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
2001
Highly Cited
2001
A general conformal-mapping approach to the optimum electrode design of coplanar waveguides with arbitrary cross section
The Schwarz-Christoffel toolbox, a free MATLAB package for the computation of conformal maps, is applied to the quasi-static… 
Highly Cited
1999
Highly Cited
1999
Methods for optimizing large molecules. II. Quadratic search
Geometry optimization has become an essential part of quantum-chemical computations, largely because of the availability of… 
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… 
Review
1991
Review
1991
Gaussian-based density functional methodology, software, and applications
We review some of the progress made by the Universite de Montreal group over the last few years, and especially over recent… 
By clicking accept or continuing to use the site, you agree to the terms outlined in our Privacy Policy (opens in a new tab), Terms of Service (opens in a new tab), and Dataset License (opens in a new tab)