Nicholas D. M. Hine

发表

Dimensionality of Carbon Nanomaterials Determines the Binding and Dynamics of Amyloidogenic Peptides: Multiscale Theoretical Simulations

Nevena Todorova, Adam J. Makarucha, Nicholas D. M. Hine, 2013, PLoS Comput. Biol..

Research data supporting 'Simulation of electron energy loss spectra of nanomaterials with linear-scaling density functional theory'.

Nicholas D. M. Hine, Edward Tait, 2016 .

Research data supporting “Predicting solvatochromic shifts and colours of a solvated organic dye: The example of Nile Red”

Nicholas D. M. Hine, Peter D. Haynes, Tim J. Zuehlsdorff, 2016 .

Research data supporting "Multi-purpose Black-Phosphorus/hBN heterostructures"

Nicholas D. M. Hine, Gabriel C. Constantinescu, 2016 .

Linear-scaling density-functional theory with tens of thousands of atoms: Expanding the scope and scale of calculations with ONETEP

Nicholas D. M. Hine, Arash A. Mostofi, Chris-Kriton Skylaris, 2009, Comput. Phys. Commun..

Calculating optical absorption spectra for large systems using linear-scaling density functional theory

Nicholas D. M. Hine, Peter D. Haynes, Laura E. Ratcliff, 2011, 1109.3341.

Linear-scaling DFT+U with full local orbital optimization

David D. O'Regan, Nicholas D. M. Hine, Arash A. Mostofi, 2011, 1111.5943.

Tuning the role of charge-transfer states in intramolecular singlet exciton fission through side-group engineering

Kai Chen, Andrew J. Musser, Shaoqiang Dong, 2016, Nature Communications.

Supercell size scaling of density functional theory formation energies of charged defects

Nicholas D. M. Hine, Michael W. Finnis, W. M. C. Foulkes, 2009 .

Supercell convergence of charge-transfer energies in pentacene molecular crystals from constrained DFT

David D. O'Regan, Nicholas D. M. Hine, Gilberto Teobaldi, 2016, 1603.02174.

Factors influencing the distribution of charge in polar nanocrystals

Nicholas D. M. Hine, Peter D. Haynes, Paul Tangney, 2011, 1105.2440.