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Publications by Ignacio Fdez. Galván

How Machine Learning Can Assist the Interpretation of Ab Initio Molecular Dynamics Simulations and Conceptual Understanding of Chemistry

Chemical Science

English

A Combined Theoretical and Experimental Study on the Mechanism of Spiro-Adamantyl-1,2-Dioxetanone Decomposition

Chemical Engineering

English

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Formation of N-Doped C60 Studied by Ab Initio Molecular Dynamics Simulations

Materials Transactions

Mechanics of Materials

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Condensed Matter Physics

Mechanical Engineering

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Action-Derived Ab Initio Molecular Dynamics

International Journal of Applied Mechanics

Mechanics of Materials

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Mechanical Engineering

English

Time-Reversible Ab Initio Molecular Dynamics

Journal of Chemical Physics

Theoretical Chemistry

English

Unravelling the Nature of Glyphosate Binding to Goethite Surfaces by Ab Initio Molecular Dynamics Simulations

English

Derivatization and Diffusive Motion of Molecular Fullerenes: Ab Initio and Atomistic Simulations

Journal of Applied Physics

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Density of States Broadening in CH3NH3PbI3 Hybrid Perovskites Understood From Ab Initio Molecular Dynamics Simulations

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Ab Initio Molecular Dynamics With Quantum Monte Carlo

Frontiers in Materials

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Ab-Initio Molecular Dynamics Study on Impurities and Defects.

Bulletin of the Japan Institute of Metals

English

Aqueous Solutions: State of the Art in Ab Initio Molecular Dynamics

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

English