Publications by authors named "Andrew Horsfield"

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Tight Binding Simulation of the MgO and Mg(OH) Hydration and Carbonation Processes.
Jiwen Yu, Andrew Horsfield

J Chem Theory Comput· February 2025

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Coordinate-Free and Low-Order Scaling Machine Learning Model for Atomic Partial Charge Prediction for Any Size of Molecules.
Qin Xie, Andrew P Horsfield

J Chem Inf Model· June 2024

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Modeling the electroluminescence of atomic wires from quantum dynamics simulations.
Carlos M Bustamante, Tchavdar Todorov, Esteban D Gadea, Facundo Tarasi, Lorenzo Stella, Andrew Horsfield

J Chem Phys· June 2024

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Revealing Interface Polarization Effects on the Electrical Double Layer with Efficient Open Boundary Simulations under Potential Control.
Margherita Buraschi, Andrew P Horsfield, Clotilde S Cucinotta

J Phys Chem Lett· May 2024

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A computational model for a molecular chemical sensor.
Mengxuan Li, Clotilde S Cucinotta, Andrew P Horsfield

Nanoscale· March 2024

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Fluorescence in quantum dynamics: Accurate spectra require post-mean-field approaches.
Carlos M Bustamante, Esteban D Gadea, Tchavdar N Todorov, Andrew Horsfield, Lorenzo Stella

J Chem Phys· April 2023

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Role of electron localisation in H adsorption and hydride formation in the Mg basal plane under aqueous corrosion: a first-principles study.
Bingxin Li, Chengcheng Xiao, Nicholas M Harrison, Richard M Fogarty, Andrew P Horsfield

Phys Chem Chem Phys· February 2023

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QM/MM optimization with quantum coupling: Host-guest interactions in a pentacene-doped p-terphenyl crystal.
Andrés I Bertoni, Richard M Fogarty, Cristián G Sánchez, Andrew P Horsfield

J Chem Phys· January 2022

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Dissipative Equation of Motion for Electromagnetic Radiation in Quantum Dynamics.
Carlos M Bustamante, Esteban D Gadea, Andrew Horsfield, Tchavdar N Todorov, Mariano C González Lebrero

Phys Rev Lett· February 2021

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A simple approximation to the electron-phonon interaction in population dynamics.
Carlos M Bustamante, Tchavdar N Todorov, Cristián G Sánchez, Andrew Horsfield, Damian A Scherlis

J Chem Phys· December 2020

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Rectification and negative differential resistance via orbital level pinning.
Aaron Zhenghui Thong, Milo S P Shaffer, Andrew P Horsfield

Sci Rep· June 2018

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Efficient local-orbitals based method for ultrafast dynamics.
Max Boleininger, Andrew P Horsfield

J Chem Phys· July 2017

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HOMO-LUMO coupling: the fourth rule for highly effective molecular rectifiers.
Aaron Zhenghui Thong, Milo S P Shaffer, Andrew P Horsfield

Nanoscale· June 2017

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Gaussian polarizable-ion tight binding.
Max Boleininger, Anne Ay Guilbert, Andrew P Horsfield

J Chem Phys· October 2016

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Correlation of Local Structure and Diffusion Pathways in the Modulated Anisotropic Oxide Ion Conductor CeNbO(4.25).
Stevin S Pramana, Tom Baikie, Tao An, Matthew G Tucker, Ji Wu, Andrew P Horsfield

J Am Chem Soc· February 2016

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Electron spin changes during general anesthesia in Drosophila.
Luca Turin, Efthimios M C Skoulakis, Andrew P Horsfield

Proc Natl Acad Sci U S A· August 2014

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Nonlocal propagation and tunnelling of surface plasmons in metallic hourglass waveguides.
Aeneas Wiener, Antonio I Fernández-Domínguez, J B Pendry, Andrew P Horsfield, Stefan A Maier

Opt Express· November 2013

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Electron-energy loss study of nonlocal effects in connected plasmonic nanoprisms.
Aeneas Wiener, Huigao Duan, Michel Bosman, Andrew P Horsfield, John B Pendry

ACS Nano· July 2013

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The swipe card model of odorant recognition.
Jennifer C Brookes, Andrew P Horsfield, A Marshall Stoneham

Sensors (Basel)· November 2012

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Nonconservative current-induced forces: A physical interpretation.
Tchavdar N Todorov, Daniel Dundas, Anthony T Paxton, Andrew P Horsfield

Beilstein J Nanotechnol· August 2012

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Nonlocal effects in the nanofocusing performance of plasmonic tips.
Aeneas Wiener, Antonio I Fernández-Domínguez, Andrew P Horsfield, John B Pendry, Stefan A Maier

Nano Lett· June 2012

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Plasmonic sinks for the selective removal of long-lived states.
Stéphane Kéna-Cohen, Aeneas Wiener, Yonatan Sivan, Paul N Stavrinou, Donal D C Bradley, Andrew Horsfield

ACS Nano· December 2011

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Analog of Rabi oscillations in resonant electron-ion systems.
Lorenzo Stella, Rafael P Miranda, Andrew P Horsfield, Andrew J Fisher

J Chem Phys· May 2011

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Role of climatic factors on damage incidence by Dermolepida albohirtum (Coleoptera: Scarabaeidae), in Burdekin sugarcane fields, Australia.
Andrew Horsfield, Mohamed Nader S Sallam, Frank A Drummond, Don J Williams, Rod J Schultz

J Econ Entomol· April 2008

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Molecular conduction: do time-dependent simulations tell you more than the Landauer approach?
Cristián G Sánchez, Maria Stamenova, Stefano Sanvito, D R Bowler, Andrew P Horsfield

J Chem Phys· June 2006

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