(Q51366151)

4 April 2018

title

Constrained evolutionary algorithm for structure prediction of molecular crystals: methodology and applications. (English)

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4 April 2018

main subject

evolutionary algorithm

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2

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4 April 2018

author name string

Qiang Zhu

series ordinal

1

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4 April 2018

Colin W Glass

series ordinal

3

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4 April 2018

Harold T Stokes

series ordinal

4

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4 April 2018

publication date

17 May 2012

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4 April 2018

Acta Crystallographica Section B: Structural Science

published in

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4 April 2018

volume

68

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4 April 2018

issue

Pt 3

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4 April 2018

page(s)

215-226

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4 April 2018

Enumeration of not-yet-synthesized zeolitic zinc imidazolate MOF networks: a topological and DFT approach

cites work

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Towards crystal structure prediction of complex organic compounds--a report on the fifth blind test

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

High-pressure infrared study of solid methane: Phase diagram up to 30 GPa

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Projector augmented-wave method

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Predicting crystal structures with data mining of quantum calculations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

A third blind test of crystal structure prediction.

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Significant progress in predicting the crystal structures of small organic molecules--a report on the fourth blind test

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Incoherent inelastic neutron scattering measurements on ice XI; the proton-ordered phase of ice Ih doped with KOH

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Dissociation of methane under high pressure.

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Semiempirical GGA-type density functional constructed with a long-range dispersion correction.

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Clustering of glycine molecules in aqueous solution studied by molecular dynamics simulation

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

The Structure of Tetragonal Boron

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Interior structure of neptune: comparison with uranus

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Comparing efficiencies of genetic and minima hopping algorithms for crystal structure prediction.

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Crystal structure prediction of flexible molecules using parallel genetic algorithms with a standard force field.

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Van der waals interactions in molecular assemblies from first-principles calculations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Waves caused by extreme dilution.

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

The distorted close-packed crystal structure of methane A.

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

The formation of cubic ice under conditions relevant to Earth's atmosphere

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Ionic high-pressure form of elemental boron

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Crystal structure prediction using ab initio evolutionary techniques: principles and applications

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Evolutionary crystal structure prediction as a tool in materials design.

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

How evolutionary crystal structure prediction works--and why.

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

How to quantify energy landscapes of solids.

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Generalized Gradient Approximation Made Simple

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

The computational prediction of pharmaceutical crystal structures and polymorphism

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Exploring polymorphism: the case of benzene

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

High pressure solid state chemistry of carbon dioxide

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Hydrogen-storage materials for mobile applications.

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

The SIESTA method forab initioorder-Nmaterials simulation

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Molecular dynamics simulations of peptides from BPTI: a closer look at amide-aromatic interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

The General Utility Lattice Program (GULP)

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Implementation of aZ-matrix approach within the SIESTA periodic boundary conditions code and its application to surface adsorption

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

A test of crystal structure prediction of small organic molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Crystal structure prediction of small organic molecules: a second blind test

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Novel high-pressure structures of MgCO3, CaCO3 and CO2 and their role in Earth's lower mantle

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

Prediction of crystal structures from crystal chemistry rules by simulated annealing

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108768112017466

10.1107/S0108768112017466

21 January 2018

Identifiers

DOI

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4 April 2018

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4 April 2018