(Q37832720)

24 August 2017

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title

Uncovering molecular processes in crystal nucleation and growth by using molecular simulation (English)

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24 August 2017

Jamshed Anwar

1

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author name string

Dirk Zahn

series ordinal

2

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PubMed ID

21271625

24 August 2017

language of work or name

English

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publication date

26 January 2011

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Angewandte Chemie International Edition

24 August 2017

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volume

50

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24 August 2017

9

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24 August 2017

1996-2013

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Equation of State Calculations by Fast Computing Machines

24 August 2017

1 reference

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21 January 2018

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All-atom empirical potential for molecular modeling and dynamics studies of proteins

21 January 2018

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UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

21 January 2018

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An approach to developing a force field for molecular simulation of martensitic phase transitions between phases with subtle differences in energy and structure

21 January 2018

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Evaluation and optimization of a force field for crystalline forms of mannitol and sorbitol

21 January 2018

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The embedded-atom method: a review of theory and applications

21 January 2018

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Transition path sampling: throwing ropes over rough mountain passes, in the dark.

21 January 2018

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Nucleation: theory and applications to protein solutions and colloidal suspensions

21 January 2018

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Numerical prediction of absolute crystallization rates in hard-sphere colloids

21 January 2018

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Quantitative prediction of crystal-nucleation rates for spherical colloids: a computational approach

21 January 2018

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Prediction of absolute crystal-nucleation rate in hard-sphere colloids

21 January 2018

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Suppression of crystal nucleation in polydisperse colloids due to increase of the surface free energy

21 January 2018

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Computational study of solvent effects on the molecular self-assembly of tetrolic acid in solution and implications for the polymorph formed from crystallization

21 January 2018

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Kinetic insights into the role of the solvent in the polymorphism of 5-fluorouracil from molecular dynamics simulations

21 January 2018

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Molecular dynamics study of the solvation of calcium carbonate in water

21 January 2018

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Binding of calcium and carbonate to polyacrylates.

21 January 2018

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Simulation of colloidal crystallization on finite structured templates

21 January 2018

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Numerical Evidence for bcc Ordering at the Surface of a Critical fcc Nucleus

21 January 2018

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Rate of homogeneous crystal nucleation in molten NaCl

21 January 2018

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Nucleation of hexagonal ice (Ih) in liquid water.

21 January 2018

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Local Structure of Liquid Carbon Controls Diamond Nucleation

21 January 2018

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Molecular insight into the pathway to crystallization of aluminum.

21 January 2018

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Escaping free-energy minima

21 January 2018

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Exploring polymorphism: the case of benzene

21 January 2018

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Simulation of structural phase transitions by metadynamics

21 January 2018

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Enhancement of Protein Crystal Nucleation by Critical Density Fluctuations

21 January 2018

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Control of protein crystal nucleation around the metastable liquid-liquid phase boundary

21 January 2018

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Homogeneous nucleation and the Ostwald step rule

21 January 2018

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Controlled arrangement of nanoparticle arrays in block-copolymer domains

21 January 2018

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Density functional theory study of the binding of glycine, proline, and hydroxyproline to the hydroxyapatite (0001) and (0110) surfaces.

21 January 2018

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Nanosuspensions in drug delivery

21 January 2018

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An efficient transition path sampling algorithm for nanoparticles under pressure.

21 January 2018

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Evidence for a size dependent nucleation mechanism in solid state polymorph transformations

21 January 2018

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Energetics of nanocrystalline TiO2

21 January 2018

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Surface Energies and Thermodynamic Phase Stability in Nanocrystalline Aluminas

21 January 2018

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Size-Dependent Temperature−Pressure Phase Diagram of Carbon

21 January 2018

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Simulation of energetic stability of facetted l-glutamic acid nanocrystalline clusters in relation to their polymorphic phase stability as a function of crystal size

21 January 2018

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New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres

21 January 2018

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Calculation of the melting point of NaCl by molecular simulation

21 January 2018

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Understanding interactions between capped nanocrystals: three-body and chain packing effects

21 January 2018

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Simulating micrometre-scale crystal growth from solution

21 January 2018

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A concept for synthesis planning in solid-state chemistry

21 January 2018

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Computer Simulation of Crystallization from Solution

21 January 2018

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Homogeneous freezing of water starts in the subsurface

21 January 2018

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Challenges in molecular simulation of homogeneous ice nucleation

21 January 2018

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Towards an atomistic understanding of apatite–collagen biomaterials: linking molecular simulation studies of complex-, crystal- and composite-formation to experimental findings

21 January 2018

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Mechanics of molecular collagen is influenced by hydroxyapatite in natural bone

21 January 2018

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Solvent Effects in the Adsorption of Alkyl Thiols on Gold Structures: A Molecular Simulation Study

21 January 2018

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An atomistic simulation scheme for modeling crystal formation from solution

21 January 2018

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Biomimetic Fluorapatite–Gelatine Nanocomposites: Pre-Structuring of Gelatine Matrices by Ion Impregnation and Its Effect on Form Development

21 January 2018

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Intrinsic Electric Dipole Fields and the Induction of Hierarchical Form Developments in Fluorapatite–Gelatine Nanocomposites: A General Principle for Morphogenesis of Biominerals?

21 January 2018

1 reference

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The Nucleation Mechanism of Fluorapatite-Collagen Composites: Ion Association and Motif Control by Collagen Proteins

21 January 2018

1 reference

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Molecular dynamics simulation of the ice nucleation and growth process leading to water freezing

21 January 2018

1 reference

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Anisotropy of Earth's D″ layer and stacking faults in the MgSiO3 post-perovskite phase

21 January 2018

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Constraints on the composition of the Earth's core from ab initio calculations

21 January 2018

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21 January 2018

Identifiers

DOI

10.1002/ANIE.201000463

1 reference

24 August 2017

1 reference

PubMed ID

21271625