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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-sci2023

A Reactive Molecular Dynamics Model for Uranium/Hydrogen Containing Systems

A. Soshnikov, R. K. Lindsey, A. Kulkarni +1

Uranium-based materials are valuable assets in the energy, medical, and military industries. However, understanding their sensitivity to hydrogen embrittlement is particularly chal…

cond-mat.mtrl-sci2023★ 24 cited

Enhancing the Accuracy of Density Functional Tight Binding Models Through ChIMES Many-body Interaction Potentials

Nir Goldman, Laurence E. Fried, Rebecca K. Lindsey +2

Semi-empirical quantum models such as Density Functional Tight Binding (DFTB) are attractive methods for obtaining quantum simulation data at longer time and length scales than pos…