Nicholas D M Hine

Electrostatic interactions in finite systems treated with periodic boundary conditions: application to linear-scaling density functional theory.

Chris-Kriton Skylaris, Nicholas D M Hine, Jacek Dziedzic, 2011, The Journal of chemical physics.

Hybrid MPI-OpenMP Parallelism in the ONETEP Linear-Scaling Electronic Structure Code: Application to the Delamination of Cellulose Nanofibrils.

Chris-Kriton Skylaris, Karl A. Wilkinson, Nicholas D M Hine, 2014, Journal of chemical theory and computation.

Tensor network simulation of multi-environmental open quantum dynamics via machine learning and entanglement renormalisation

Alex W Chin, Nicholas D M Hine, Florian A Y N Schröder, 2019, Nature Communications.

Linear-scaling density functional theory using the projector augmented wave method

Nicholas D M Hine, N. Hine, 2017, Journal of physics. Condensed matter : an Institute of Physics journal.

Vanadium dioxide: a Peierls-Mott insulator stable against disorder.

Nicholas D M Hine, Gabriel Kotliar, Mike C Payne, 2012, Physical review letters.

Pulay forces from localized orbitals optimized in situ using a psinc basis set.

Chris-Kriton Skylaris, Álvaro Ruiz-Serrano, Nicholas D M Hine, 2012, The Journal of chemical physics.

Electrostatic considerations affecting the calculated HOMO–LUMO gap in protein molecules

Nicholas D M Hine, Peter D Haynes, Daniel J Cole, 2013, Journal of physics. Condensed matter : an Institute of Physics journal.