2 parameter-estimation positions at NIST

Atomistic Modeling of Phonons in Nanodiamonds and other Nanomaterials

NIST | Boulder, Colorado | United States | 1 day ago

of the lattice. On the other hand, strain is a continuum model parameter, which is defined in terms of the derivatives of the continuous displacement field.  The inherent assumption in a continuum model is that

Applications of Quantum Chemistry to Chemical Structure and Reactivity

NIST | Gaithersburg, Maryland | United States | 1 day ago

reliable results on larger molecular systems with suitable parameterization. We are studying ways to automate parameter generation to facilitate further studies. Applications of the tight binding methodology