3 papers
cond-mat.mtrl-sci2020
Nearsightedness of Crystalline Materials and Intergranular Embrittlement
M. Rajivmoorthy, T. R. Wilson, M. E. Eberhart
Our quest to design materials often envisions as a first step the conceptual decomposition of a material into meaningful atomic scale neighborhoods. The performance of the monolith…
physics.chem-ph2019
Observing the 3D chemical bond and its energy distribution in a projected space
Timothy R. Wilson, Malavikha Rajivmoorthy, Jordan Goss +2
Our curiosity-driven desire to "see" chemical bonds dates back at least one-hundred years, perhaps to antiquity. Sweeping improvements in the accuracy of measured and predicted ele…
physics.chem-ph2018
The Quantum Theory of Atoms in Molecules in Condensed Charge Density Space
Timothy R Wilson, Mark E Eberhart
By leveraging the fundamental doctrine of The Quantum Theory of Atoms in Molecules---the partitioning of the electron charge density () into regions bounded by surfaces of zero…