Works (3)

Updated: July 10th, 2023 21:16

2015 journal article

A Sparse Interpolation Algorithm for Dynamical Simulations in Computational Chemistry

SIAM Journal on Scientific Computing, 37(5), S137–S156.

By: J. Nance* & C. Kelley*

author keywords: sparse interpolation; sparse grids; Smolyak's algorithm; dynamics; reaction path following
Sources: Web Of Science, Crossref, ORCID
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 n, D. Bowman*, S. Mukherjee n, C. Kelley n & E. Jakubikova n

Sources: Web Of Science, Crossref, ORCID
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 n, E. Jakubikova n & C. Kelley n

Sources: Web Of Science, ORCID, Crossref
Added: August 6, 2018