48 citations · 63 across the 6 of their papers we have counts for
5 papers
Hydrogen Bonding and Nuclear Quantum Effects in Clays
Pawan J. K. Kurapothula, Sam Shepherd, David M. Wilkins
Hydrogen bonds are of paramount importance in the chemistry of clays, mediating the interaction between the clay surface and water, and for some materials between separate layers.…
Nuclear quantum effects in water exchange around lithium and fluoride ions
David M. Wilkins, David E. Manolopoulos, Liem X. Dang
We employ classical and ring polymer molecular dynamics simulations to study the effect of nuclear quantum fluctuations on the structure and the water exchange dynamics of aqueous…
Why quantum coherence is not important in the Fenna-Matthews-Olsen Complex
David M. Wilkins, Nikesh S. Dattani
We develop and present an improvement to the conventional technique for solving the Hierarchical Equations of Motion which reduces the memory cost by more than 75% while retaining…
Optimal representation of the bath response function & fast calculation of influence functional coefficients in open quantum systems with BATHFIT 1
Nikesh S. Dattani, David M. Wilkins, Felix A. Pollock
Today's most popular techniques for accurately calculating the dynamics of the reduced density operator in an open quantum system, either require, or gain great computational benef…
Analytic influence functionals for numerical Feynman integrals in most open quantum systems
Nikesh S. Dattani, Felix A. Pollock, David M. Wilkins
Fully analytic formulas, which do not involve any numerical integration, are derived for the discretized influence functionals of a very extensive assortment of spectral distributi…