31 citations · 55 across the 3 of their papers we have counts for
3 papers
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…
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…
Semi-Automated Creation of Density Functional Tight Binding Models Through Leveraging Chebyshev Polynomial-based Force Fields
Nir Goldman, Kyoung Eun Kweon, Babak Sadigh +8
Density Functional Tight Binding (DFTB) is an attractive method for accelerated quantum simulations of condensed matter due to its enhanced computational efficiency over standard D…