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Publications by Suraj Bajgain

Structure and Density of Basaltic Melts at Mantle Conditions From First-Principles Simulations

Nature Communications

Molecular Biology

English

Elasticity of Phase-Pi (Al 3 Si 2 O 7 (OH) 3 ) – A Hydrous Aluminosilicate Phase

Physics of the Earth and Planetary Interiors

Planetary Science

English

Related publications

First Principles Simulations

Le Journal de Physique IV

English

Charge Separation and Exciton Dynamics at Polymer/ZnO Interface From First-Principles Simulations

Journal of Physical Chemistry Letters

Materials Science

Theoretical Chemistry

English

The Era of First-Principles Simulations

English

Morphology and Surface Structure of Cubic BaTiO3 Using First-Principles Density Functional Theory

Journal of the Ceramic Society of Japan

Materials Chemistry

Condensed Matter Physics

English

Density Structure of Earth’s Lowermost Mantle From Stoneley Mode Splitting Observations

Nature Communications

Molecular Biology

English

Liquid-Liquid Phase Transition in Compressed Hydrogen From First-Principles Simulations

Proceedings of the National Academy of Sciences of the United States of America

Multidisciplinary

English

Helium Bubble Nucleation and Growth in Α-Fe: Insights From First–principles Simulations

Journal of Physics Condensed Matter

Materials Science

Condensed Matter Physics

English

Structure and Diffusion in Aluminium and Gallium Trihalide Melts From Simulations Based on Intramolecular Force Laws

Molecular Physics

Theoretical Chemistry

Condensed Matter Physics

Molecular Biology

English

First-Principles Simulations and Z-Contrast Imaging of Impurities at Tilt Grain Boundaries in Mgo

Materials Research Society Symposium - Proceedings

Mechanics of Materials

Materials Science

Condensed Matter Physics

Mechanical Engineering

English