N. Goldman

activity

20212024

most citedSemi-Automated Creation of Density Functional Tight Binding Models Through Leveraging Chebyshev Polynomial-based Force Fields

31 citations · 82 across the 11 of their papers we have counts for

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cond-mat.mtrl-sci2024

Quantum Calculations of Hydrogen Absorption and Diffusivity in Bulk $Ce O_{2}$

Jared C. Stimac, Nir Goldman

CeO $_{2}$ (ceria) is an attractive material for heterogeneous catalysis applications involving hydrogen due to its favorable redox activity combined with its relative impermeability…

cond-mat.mtrl-sci2024

Creation of an Fe $_{3}$ P Schreibersite Density Functional Tight Binding Model for Astrobiological Simulations

Riccardo Dettori, Nir Goldman

The mineral schreibersite, e.g., Fe $_{3}$ P, is commonly found in iron-rich meteorites and could have served as an abiotic phosphorus source for prebiotic chemistry. However, atomisti…

Quantum Calculations of Hydrogen Absorption and Diffusivity in Bulk CeO2​

Creation of an Fe3​P Schreibersite Density Functional Tight Binding Model for Astrobiological Simulations

Quantum Calculations of Hydrogen Absorption and Diffusivity in Bulk $Ce O_{2}$

Creation of an Fe $_{3}$ P Schreibersite Density Functional Tight Binding Model for Astrobiological Simulations