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Publications by U. Mehmood

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

Journal of Applied Physics

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

English

Action-Derived Ab Initio Molecular Dynamics

International Journal of Applied Mechanics

Mechanics of Materials

Materials Science

Mechanical Engineering

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Time-Reversible Ab Initio Molecular Dynamics

Journal of Chemical Physics

Theoretical Chemistry

English

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

Chemical Science

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

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Ab-Initio Molecular Dynamics Study on Impurities and Defects.

Bulletin of the Japan Institute of Metals

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

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An Ab Initio Molecular Orbital Study of Lithiopyridines

Bulletin of the Chemical Society of Japan

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Ab Initio Modeling of Small Proteins by Iterative TASSER Simulations

Developmental Biology

Molecular Biology

Biological Sciences

Structural Biology

English