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Thermodynamics and Kinetics of Prenucleation Clusters, Classical and Non-Classical Nucleation

Chemphyschem, 2015-07, Vol.16 (10), p.2069-2075

Zahn, Dirk

2015

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A molecular simulation study of the auto-protolysis of ammonia as a function of temperature

Chemical physics letters, 2017-08, Vol.682, p.55-59

Zahn, Dirk

2017

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Uncovering Molecular Processes in Crystal Nucleation and Growth by Using Molecular Simulation

Angewandte Chemie (International ed.), 2011-02, Vol.50 (9), p.1996-2013

International ed. in English, 2011

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Molecular Dynamics Simulation of Silicone Oil Polymerization from Combined QM/MM Modeling

Polymers, 2024-06, Vol.16 (12), p.1755

2024

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Solvation structure and dynamics of Ag + in aqueous ammonia solutions: A molecular simulation study

The Journal of chemical physics, 2017-09, Vol.147 (11), p.114506-114506

2017

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Polarization Effects in Dynamic Interfaces of Platinum Electrodes and Ionic Liquid Phases: A Molecular Dynamics Study

Journal of physical chemistry. C, 2020-01, Vol.124 (3), p.2002-2007

2020

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Molecular Simulation of Ag Nanoparticle Nucleation from Solution: Redox-Reactions Direct the Evolution of Shape and Structure

Nano letters, 2014-08, Vol.14 (8), p.4913-4917

2014

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Multi-scale simulations of apatite-collagen composites： from molecules to materials

Frontiers of materials science, 2017-03, Vol.11 (1), p.1-12

ZAHN, Dirk

2017

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Molecular mechanisms of mesoporous silica formation from colloid solution: Ripening-reactions arrest hollow network structures

PloS one, 2019-03, Vol.14 (3), p.e0212731-e0212731

2019

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Atomistic mechanism of NaCl nucleation from an aqueous solution

Physical review letters, 2004-01, Vol.92 (4), p.040801-040801, Article 040801

Zahn, Dirk

2004

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Approaching Dissolved Species in Ammonoacidic GaN Crystal Growth: A Combined Solution NMR and Computational Study

Chemistry : a European journal, 2020-06, Vol.26 (31), p.7008-7017

2020

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Multi-Scale Modelling of Plastic Deformation, Damage and Relaxation in Epoxy Resins

Polymers, 2022-08, Vol.14 (16), p.3240

2022

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Molecular Simulations and Network Analyses of Surface/Interface Effects in Epoxy Resins: How Bonding Adapts to Boundary Conditions

Polymers, 2022-09, Vol.14 (19), p.4069

2022

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Multi-Scale Modelling of Deformation and Fracture in a Biomimetic Apatite-Protein Composite: Molecular-Scale Processes Lead to Resilience at the μm-Scale

PloS one, 2016-06, Vol.11 (6), p.e0157241-e0157241

2016

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Assessing the mechanical properties of molecular materials from atomic simulation

AIMS materials science, 2021-12, Vol.8 (6), p.867-880

2021

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Molecular dynamics simulation of ionic conductors: perspectives and limitations

Journal of molecular modeling, 2011-07, Vol.17 (7), p.1531-1535

Zahn, Dirk

2011

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Improved GAFF2 parameters for fluorinated alkanes and mixed hydro- and fluorocarbons

Journal of molecular modeling, 2019-02, Vol.25 (2), Article 39

2019

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Local Charge Distribution in GaxPdy Intermetallics: Characterizing Catalyst Surfaces from Large-Scale Molecular Mechanics Simulations

Crystals (Basel), 2024-07, Vol.14 (7), p.592

2024

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Improving the Performance of Organic Thin-Film Transistors by Ion Doping of Ethylene-Glycol-Based Self-Assembled Monolayer Hybrid Dielectrics

Advanced materials (Weinheim), 2015-12, Vol.27 (48), p.8023-8027

2015

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Deciphering the molecular mechanism of water boiling at heterogeneous interfaces

Scientific reports, 2021-10, Vol.11 (1), p.19858-19858, Article 19858

2021

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The sense of balance in humans: Structural features of otoconia and their response to linear acceleration

PloS one, 2017-04, Vol.12 (4), p.e0175769-e0175769

2017

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Kisspeptin Directly Stimulates Gonadotropin-Releasing Hormone Release via G Protein-Coupled Receptor 54

Proceedings of the National Academy of Sciences - PNAS, 2005-02, Vol.102 (5), p.1761-1766

2005

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The nano- and meso-scale structure of amorphous calcium carbonate

Scientific reports, 2022-04, Vol.12 (1), p.6870-6870, Article 6870

2022

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Hypogonadotropic hypogonadism in mice lacking a functional Kiss1 gene

Proceedings of the National Academy of Sciences - PNAS, 2007-06, Vol.104 (25), p.10714-10719

2007

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Shearing in a biomimetic apatite-protein composite: molecular dynamics of slip zone formation, plastic flow and backcreep mechanisms

PloS one, 2014-04, Vol.9 (4), p.e93309-e93309

2014

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Thermodynamics and Kinetics of Prenucleation Clusters, Classical and Non-Classical Nucleation

A molecular simulation study of the auto-protolysis of ammonia as a function of temperature

Uncovering Molecular Processes in Crystal Nucleation and Growth by Using Molecular Simulation

Molecular Dynamics Simulation of Silicone Oil Polymerization from Combined QM/MM Modeling

Solvation structure and dynamics of Ag + in aqueous ammonia solutions: A molecular simulation study

Polarization Effects in Dynamic Interfaces of Platinum Electrodes and Ionic Liquid Phases: A Molecular Dynamics Study

Molecular Simulation of Ag Nanoparticle Nucleation from Solution: Redox-Reactions Direct the Evolution of Shape and Structure

Multi-scale simulations of apatite-collagen composites： from molecules to materials

Molecular mechanisms of mesoporous silica formation from colloid solution: Ripening-reactions arrest hollow network structures

Atomistic mechanism of NaCl nucleation from an aqueous solution

Approaching Dissolved Species in Ammonoacidic GaN Crystal Growth: A Combined Solution NMR and Computational Study

Multi-Scale Modelling of Plastic Deformation, Damage and Relaxation in Epoxy Resins

Molecular Simulations and Network Analyses of Surface/Interface Effects in Epoxy Resins: How Bonding Adapts to Boundary Conditions

Multi-Scale Modelling of Deformation and Fracture in a Biomimetic Apatite-Protein Composite: Molecular-Scale Processes Lead to Resilience at the μm-Scale

Assessing the mechanical properties of molecular materials from atomic simulation

Molecular dynamics simulation of ionic conductors: perspectives and limitations

Improved GAFF2 parameters for fluorinated alkanes and mixed hydro- and fluorocarbons

Local Charge Distribution in GaxPdy Intermetallics: Characterizing Catalyst Surfaces from Large-Scale Molecular Mechanics Simulations

Improving the Performance of Organic Thin-Film Transistors by Ion Doping of Ethylene-Glycol-Based Self-Assembled Monolayer Hybrid Dielectrics

Deciphering the molecular mechanism of water boiling at heterogeneous interfaces

The sense of balance in humans: Structural features of otoconia and their response to linear acceleration

Kisspeptin Directly Stimulates Gonadotropin-Releasing Hormone Release via G Protein-Coupled Receptor 54

The nano- and meso-scale structure of amorphous calcium carbonate

Hypogonadotropic hypogonadism in mice lacking a functional Kiss1 gene

Shearing in a biomimetic apatite-protein composite: molecular dynamics of slip zone formation, plastic flow and backcreep mechanisms

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