2 papers
cond-mat.mtrl-sci2021
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…
cond-mat.mtrl-sci2020
Structural study of TATB under detonation-induced shock conditions
Elissaios Stavrou, Michael Bagge-Hansen, Joshua A. Hammons +13
We explore the response of the insensitive high explosive (IHE) 1,3,5-Triamino-2,4,6- trinitrobenzene (TATB) under detonation-induced shock conditions using in-situ synchrotron X-r…