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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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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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Efficient Reconstruction of Complex Free Energy Landscapes by Multiple Walkers Metadynamics

The journal of physical chemistry. B, 2006-03, Vol.110 (8), p.3533-3539

2006

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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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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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Exploring Polymorphism: The Case of Benzene

Angewandte Chemie International Edition, 2005-06, Vol.44 (24), p.3769-3773

2005

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Crosslinking Rapidly Cured Epoxy Resin Thermosets: Experimental and Computational Modeling and Simulation Study

Polymers, 2023-03, Vol.15 (5), p.1325

2023

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Molecular Dynamics of Solids at Constant Pressure and Stress Using Anisotropic Stochastic Cell Rescaling

Applied sciences, 2022-02, Vol.12 (3), p.1139

2022

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

Nature, 2005-12, Vol.438 (7071), p.1142-1144

2005

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Photophysical and Photochemical Trends in Tricarbonyl Rhenium(I) N‑Heterocyclic Carbene Complexes

Inorganic chemistry, 2014-04, Vol.53 (7), p.3629-3641

2014

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The photochemistry of rhenium(I) tricarbonyl N-heterocyclic carbene complexes

Dalton transactions : an international journal of inorganic chemistry, 2013-10, Vol.42 (39), p.14100-14114

2013

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Synthesis, Structural, and Photophysical Investigation of Diimine Triscarbonyl Re(I) Tetrazolato Complexes

Inorganic chemistry, 2011-02, Vol.50 (4), p.1229-1241

2011

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Influence of isotropic and biaxial strain on proton conduction in Y-doped BaZrO3: a reactive molecular dynamics study

Journal of materials chemistry. A, Materials for energy and sustainability, 2014-01, Vol.2 (9), p.3127

2014

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Revisiting the Conformational Isomerism of Dihaloethanes: A Hybrid Computational and Experimental Laboratory for the Undergraduate Curriculum

ACS Physical Chemistry Au, 2023-03, Vol.3 (2), p.157-166

2023

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Exploring the influence of organic species on pre- and post-nucleation calcium carbonate

Faraday discussions, 2012-01, Vol.159, p.61-85

2012

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Development of Accurate Force Fields for the Simulation of Biomineralization

Methods in Enzymology, 2013, Vol.532, p.3-23

2013

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Synthesis, Photophysical and Electrochemical Investigation of Dinuclear Tetrazolato-Bridged Rhenium Complexes

Organometallics, 2012-11, Vol.31 (21), p.7566-7578

2012

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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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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

Uncovering the Atomistic Mechanism for Calcite Step Growth

Efficient Reconstruction of Complex Free Energy Landscapes by Multiple Walkers Metadynamics

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

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

Exploring Polymorphism: The Case of Benzene

Crosslinking Rapidly Cured Epoxy Resin Thermosets: Experimental and Computational Modeling and Simulation Study

Molecular Dynamics of Solids at Constant Pressure and Stress Using Anisotropic Stochastic Cell Rescaling

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

Photophysical and Photochemical Trends in Tricarbonyl Rhenium(I) N‑Heterocyclic Carbene Complexes

The photochemistry of rhenium(I) tricarbonyl N-heterocyclic carbene complexes

Synthesis, Structural, and Photophysical Investigation of Diimine Triscarbonyl Re(I) Tetrazolato Complexes

Influence of isotropic and biaxial strain on proton conduction in Y-doped BaZrO3: a reactive molecular dynamics study

Revisiting the Conformational Isomerism of Dihaloethanes: A Hybrid Computational and Experimental Laboratory for the Undergraduate Curriculum

Exploring the influence of organic species on pre- and post-nucleation calcium carbonate

Development of Accurate Force Fields for the Simulation of Biomineralization

Synthesis, Photophysical and Electrochemical Investigation of Dinuclear Tetrazolato-Bridged Rhenium Complexes

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

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