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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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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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Benchmarking Calculated Lattice Parameters and Energies of Molecular Crystals Using van der Waals Density Functionals

Journal of chemical theory and computation, 2014-08, Vol.10 (8), p.3423-3437

2014

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Powder diffraction and crystal structure prediction identify four new coumarin polymorphs

Chemical science (Cambridge), 2017-07, Vol.8 (7), p.4926-4940

2017

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Tip dependence of three-dimensional scanning force microscopy images of calcite-water interfaces investigated by simulation and experiments

Nanoscale, 2020-06, Vol.12 (24), p.12856-12868

2020

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Understanding 2D atomic resolution imaging of the calcite surface in water by frequency modulation atomic force microscopy

Nanotechnology, 2016-10, Vol.27 (41), p.415709-415709

2016

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Molecular Dynamics Visualization (MDV): Stereoscopic 3D Display of Biomolecular Structure and Interactions Using the Unity Game Engine

Journal of integrative bioinformatics, 2018-06, Vol.15 (2), p.1616-23

2018

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Measurement Method Options to Investigate Digital Screen Technology Use by Children and Adolescents: A Narrative Review

Children (Basel), 2024-07, Vol.11 (7), p.754

2024

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Stabilization of Aragonite: Role of Mg2+ and Other Impurity Ions

Crystal growth & design, 2020-08, Vol.20 (8), p.5006-5017

2020

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A Supramolecular Ice Growth Inhibitor

Journal of the American Chemical Society, 2016-10, Vol.138 (40), p.13396-13401

2016

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Twisted Aspirin Crystals

Journal of the American Chemical Society, 2013-03, Vol.135 (9), p.3395-3398

2013

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Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone

Crystal growth & design, 2008-12, Vol.8 (12), p.4517-4525

2008

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Resolving Point Defects in the Hydration Structure of Calcite (10.4) with Three-Dimensional Atomic Force Microscopy

Physical review letters, 2018-03, Vol.120 (11), p.116101-116101, Article 116101

2018

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Why Are Some Crystals Straight?

Journal of physical chemistry. C, 2020-07, Vol.124 (28), p.15616-15624

2020

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Can Point Defects in Surfaces in Solution be Atomically Resolved by Atomic Force Microscopy?

Physical review letters, 2016-11, Vol.117 (22), p.226101-226101, Article 226101

2016

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Resorcinol Crystallization from the Melt: A New Ambient Phase and New “Riddles”

Journal of the American Chemical Society, 2016-04, Vol.138 (14), p.4881-4889

2016

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Can macrocyclic phosphonate molecules inhibit barium sulfate crystallization?

CrystEngComm, 2019, Vol.21 (5), p.807-815

2019

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Atomistic simulation of the measurement of mechanical properties of gold nanorods by AFM

Scientific reports, 2017-11, Vol.7 (1), p.16257-8, Article 16257

2017

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Quasi-static deformation simulations of molecular crystals

CrystEngComm, 2023-02, Vol.25 (7), p.1159-1174

2023

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van der Waals corrected density functional calculations of the adsorption of benzene on the Cu (111) surface

Journal of computational chemistry, 2014-12, Vol.35 (31), p.2263-2271

2014

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Timoshenko Bending and Eshelby Twisting Predicted in Molecular Nanocrystals

Journal of physical chemistry. C, 2018-11, Vol.122 (43), p.25085-25091

2018

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An ab Initio Study of the Structure and Properties of Aluminum Hydroxide: Gibbsite and Bayerite

The journal of physical chemistry. B, 2001-10, Vol.105 (42), p.10236-10242

2001

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A self-supervised learning based approach to analyze Martian water–ice cloud properties for planetary atmospheric applications

Acta astronautica, 2021-04, Vol.181, p.1-13

2021

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Noncovalent Interactions in SIESTA Using the vdW-DF Functional: S22 Benchmark and Macrocyclic Structures

Journal of chemical theory and computation, 2012-01, Vol.8 (1), p.281-289

2012

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Dislocation-Actuated Growth and Inhibition of Hexagonal l‑Cystine Crystallization at the Molecular Level

Crystal growth & design, 2015-02, Vol.15 (2), p.921-934

2015

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

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

Benchmarking Calculated Lattice Parameters and Energies of Molecular Crystals Using van der Waals Density Functionals

Powder diffraction and crystal structure prediction identify four new coumarin polymorphs

Tip dependence of three-dimensional scanning force microscopy images of calcite-water interfaces investigated by simulation and experiments

Understanding 2D atomic resolution imaging of the calcite surface in water by frequency modulation atomic force microscopy

Molecular Dynamics Visualization (MDV): Stereoscopic 3D Display of Biomolecular Structure and Interactions Using the Unity Game Engine

Measurement Method Options to Investigate Digital Screen Technology Use by Children and Adolescents: A Narrative Review

Stabilization of Aragonite: Role of Mg2+ and Other Impurity Ions

A Supramolecular Ice Growth Inhibitor

Twisted Aspirin Crystals

Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone

Resolving Point Defects in the Hydration Structure of Calcite (10.4) with Three-Dimensional Atomic Force Microscopy

Why Are Some Crystals Straight?

Can Point Defects in Surfaces in Solution be Atomically Resolved by Atomic Force Microscopy?

Resorcinol Crystallization from the Melt: A New Ambient Phase and New “Riddles”

Can macrocyclic phosphonate molecules inhibit barium sulfate crystallization?

Atomistic simulation of the measurement of mechanical properties of gold nanorods by AFM

Quasi-static deformation simulations of molecular crystals

van der Waals corrected density functional calculations of the adsorption of benzene on the Cu (111) surface

Timoshenko Bending and Eshelby Twisting Predicted in Molecular Nanocrystals

An ab Initio Study of the Structure and Properties of Aluminum Hydroxide: Gibbsite and Bayerite

A self-supervised learning based approach to analyze Martian water–ice cloud properties for planetary atmospheric applications

Noncovalent Interactions in SIESTA Using the vdW-DF Functional: S22 Benchmark and Macrocyclic Structures

Dislocation-Actuated Growth and Inhibition of Hexagonal l‑Cystine Crystallization at the Molecular Level

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