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Water Is the Key to Nonclassical Nucleation of Amorphous Calcium Carbonate

Journal of the American Chemical Society, 2010-12, Vol.132 (49), p.17623-17634

2010

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Stable prenucleation mineral clusters are liquid-like ionic polymers

Nature communications, 2011-12, Vol.2 (1), p.590-590, Article 590

2011

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Atomistic Simulation of Atomic Force Microscopy Imaging of Hydration Layers on Calcite, Dolomite, and Magnesite Surfaces

Journal of physical chemistry. C, 2019-06, Vol.123 (24), p.14985-14992

2019

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Redefined ion association constants have consequences for calcium phosphate nucleation and biomineralization

Nature communications, 2024-04, Vol.15 (1), p.3359-3359, Article 3359

2024

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Derivation of an Accurate Force-Field for Simulating the Growth of Calcium Carbonate from Aqueous Solution: A New Model for the Calcite−Water Interface

Journal of physical chemistry. C, 2010-04, Vol.114 (13), p.5997-6010

2010

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Structure and Dynamics of Water at Step Edges on the Calcite {101̅4} Surface

Crystal growth & design, 2016-10, Vol.16 (10), p.5907-5914

2016

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Molecular dynamics simulations of liquid–liquid interfaces in an electric field: The water–1,2-dichloroethane interface

The Journal of chemical physics, 2020-10, Vol.153 (16), p.164714-164714

2020

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Accurate Rates of the Complex Mechanisms for Growth and Dissolution of Minerals Using a Combination of Rare-Event Theories

Journal of the American Chemical Society, 2012-01, Vol.134 (1), p.11-14

2012

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The controlled disassembly of mesostructured perovskites as an avenue to fabricating high performance nanohybrid catalysts

Nature communications, 2017-05, Vol.8 (1), p.15553-15553, Article 15553

2017

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Uncovering the Atomistic Mechanism for Calcite Step Growth

Angewandte Chemie (International ed.), 2017-07, Vol.56 (29), p.8464-8467

International ed. in English, 2017

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CrystalClear: an open, modular protocol for predicting molecular crystal growth from solution

Chemical science (Cambridge), 2023-07, Vol.14 (26), p.7192-727

2023

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Introducing the crystalline phase of dicalcium phosphate monohydrate

Nature communications, 2020-03, Vol.11 (1), p.1546-1546, Article 1546

2020

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Predicting crystal growth via a unified kinetic three-dimensional partition model

Nature (London), 2017-04, Vol.544 (7651), p.456-459

2017

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Determining the Adsorption Free Energies of Small Organic Molecules and Intrinsic Ions at the Terrace and Steps of Calcite

Crystal growth & design, 2022-02, Vol.22 (2), p.1445-1458

2022

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Thermodynamically Consistent Force Field for Molecular Dynamics Simulations of Alkaline-Earth Carbonates and Their Aqueous Speciation

Journal of physical chemistry. C, 2015-10, Vol.119 (43), p.24447-24458

2015

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Free Energy of Ligand Removal in the Metal–Organic Framework UiO-66

Journal of physical chemistry. C, 2016-05, Vol.120 (17), p.9276-9281

2016

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Assisted Desolvation as a Key Kinetic Step for Crystal Growth

Journal of the American Chemical Society, 2006-10, Vol.128 (41), p.13568-13574

2006

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Homochirality in biomineral suprastructures induced by assembly of single-enantiomer amino acids from a nonracemic mixture

Nature communications, 2019-05, Vol.10 (1), p.2318-2318, Article 2318

2019

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Flexibility in a Metal-Organic Framework Material Controlled by Weak Dispersion Forces: The Bistability of MIL-53(Al)

Angewandte Chemie (International ed.), 2010-10, Vol.49 (41), p.7501-7503

2010

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A transferable quantum mechanical energy model for intermolecular interactions using a single empirical parameter

IUCrJ, 2023-11, Vol.10 (Pt 6), p.754-765

2023

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Ion Pairing and Multiple Ion Binding in Calcium Carbonate Solutions Based on a Polarizable AMOEBA Force Field and Ab Initio Molecular Dynamics

The journal of physical chemistry. B, 2020-04, Vol.124 (17), p.3568-3582

2020

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Pre-nucleation clusters as solute precursors in crystallisation

Chemical Society reviews, 2014-04, Vol.43 (7), p.2348-2371

2014

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Vibrational Analysis of Brucite Surfaces and the Development of an Improved Force Field for Molecular Simulation of Interfaces

Journal of physical chemistry. C, 2014-04, Vol.118 (15), p.7946-7953

2014

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Crystal Nucleation and Growth of Inorganic Ionic Materials from Aqueous Solution: Selected Recent Developments, and Implications

Small (Weinheim an der Bergstrasse, Germany), 2022-07, Vol.18 (28), p.e2107735-n/a

2022

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Chemical bonding at the metal-organic framework/metal oxide interface: simulated epitaxial growth of MOF-5 on rutile TiO2

Journal of materials chemistry. A, Materials for energy and sustainability, 2017-03, Vol.5 (13), p.6226-6232

2017

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Water Is the Key to Nonclassical Nucleation of Amorphous Calcium Carbonate

Stable prenucleation mineral clusters are liquid-like ionic polymers

Atomistic Simulation of Atomic Force Microscopy Imaging of Hydration Layers on Calcite, Dolomite, and Magnesite Surfaces

Redefined ion association constants have consequences for calcium phosphate nucleation and biomineralization

Derivation of an Accurate Force-Field for Simulating the Growth of Calcium Carbonate from Aqueous Solution: A New Model for the Calcite−Water Interface

Structure and Dynamics of Water at Step Edges on the Calcite {101̅4} Surface

Molecular dynamics simulations of liquid–liquid interfaces in an electric field: The water–1,2-dichloroethane interface

Accurate Rates of the Complex Mechanisms for Growth and Dissolution of Minerals Using a Combination of Rare-Event Theories

The controlled disassembly of mesostructured perovskites as an avenue to fabricating high performance nanohybrid catalysts

Uncovering the Atomistic Mechanism for Calcite Step Growth

CrystalClear: an open, modular protocol for predicting molecular crystal growth from solution

Introducing the crystalline phase of dicalcium phosphate monohydrate

Predicting crystal growth via a unified kinetic three-dimensional partition model

Determining the Adsorption Free Energies of Small Organic Molecules and Intrinsic Ions at the Terrace and Steps of Calcite

Thermodynamically Consistent Force Field for Molecular Dynamics Simulations of Alkaline-Earth Carbonates and Their Aqueous Speciation

Free Energy of Ligand Removal in the Metal–Organic Framework UiO-66

Assisted Desolvation as a Key Kinetic Step for Crystal Growth

Homochirality in biomineral suprastructures induced by assembly of single-enantiomer amino acids from a nonracemic mixture

Flexibility in a Metal-Organic Framework Material Controlled by Weak Dispersion Forces: The Bistability of MIL-53(Al)

A transferable quantum mechanical energy model for intermolecular interactions using a single empirical parameter

Ion Pairing and Multiple Ion Binding in Calcium Carbonate Solutions Based on a Polarizable AMOEBA Force Field and Ab Initio Molecular Dynamics

Pre-nucleation clusters as solute precursors in crystallisation

Vibrational Analysis of Brucite Surfaces and the Development of an Improved Force Field for Molecular Simulation of Interfaces

Crystal Nucleation and Growth of Inorganic Ionic Materials from Aqueous Solution: Selected Recent Developments, and Implications

Chemical bonding at the metal-organic framework/metal oxide interface: simulated epitaxial growth of MOF-5 on rutile TiO2

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