2015 journal article

A Sparse interpolation algorithm for dynamical simulations in computational chemistry

SIAM Journal on Scientific Computing, 37(5), S137–156.

By: J. Nance & C. Kelley

Source: NC State University Libraries
Added: August 6, 2018

2015 journal article

Insights into the spin-state transitions in [Fe(tpy)(2)](2+): Importance of the terpyridine rocking motion

Inorganic Chemistry, 54(23), 11259–11268.

By: J. Nance, D. Bowman, S. Mukherjee, C. Kelley & E. Jakubikove

Source: NC State University Libraries
Added: August 6, 2018

2014 journal article

Reaction path following with sparse interpolation

Journal of Chemical Theory and Computation, 10(8), 2942–2949.

By: J. Nance, E. Jakubikova & C. Kelley

Source: NC State University Libraries
Added: August 6, 2018