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Andrew P. Horsfield

imperial college london

41H指数
193论文数
5.0K被引数
收录论文 70
发表时间
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Strain and dopant-induced band-gap formation in metastable ZrO: resolving the experiment-simulation discrepancy亚稳态二氧化锆中应变和掺杂诱导的带隙形成：解决实验与模拟的分歧
errActa Materialia
IF9.3
err2026-07-01
err0
PREAI
errZhang, Junting; Lea, Susannah; Lischner, Johannes; Horsfield, Andrew; Wenman, Mark
err分享
err收藏
The importance of many body interactions in point defect clusters in α Zirconium alloysα锆合金中点缺陷团簇内多体相互作用的重要性
errJournal of Nuclear Materials
IF3.2
err2025-11-17
err0
errOAAI
errJunting Zhang; Daniel J.M. King; Patrick A. Burr; Andrew P. Horsfield; Mark R. Wenman
err分享
err收藏
Density functional theory simulation study of Fe solutes in hcp zirconium: Magnetic and electronic properties基于密度泛函理论的hcp锆中Fe溶质模拟研究：磁性和电子性质
errJOURNAL OF NUCLEAR MATERIALS
IF3.2
err2025-05-01
err0
PREAI
errZhang, Junting; Horsfield, Andrew; Wenman, Mark
err分享
err收藏
Tight Binding Simulation of the MgO and Mg(OH)2 Hydration and Carbonation Processes
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-04
err0
errOAAI
errYu, Jiwen; Horsfield, Andrew
err分享
err收藏
Uncovering the electrochemical stability and corrosion reaction pathway of Mg (0001) surface: Insight from first-principles calculation
errCORROSION SCIENCE
IF8.5
err2024-12-01
err0
errOAAI
errLi, Bingxin; Harrison, Nicholas M.; Horsfield, Andrew P.
err分享
err收藏
Modeling the electroluminescence of atomic wires from quantum dynamics simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-03
err1
errOAAI
errBustamante, Carlos M.; Todorov, Tchavdar; Gadea, Esteban D.; Tarasi, Facundo; Stella, Lorenzo; Horsfield, Andrew; Scherlis, Damian A.
err分享
err收藏
Coordinate-Free and Low-Order Scaling Machine Learning Model for Atomic Partial Charge Prediction for Any Size of Molecules
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-05-17
err2
errOAAI
errXie, Qin; Horsfield, Andrew P.
err分享
err收藏
A computational model for a molecular chemical sensor
errNANOSCALE
IF5.1
err2024-01-01
err0
errOAAI
errLi, Mengxuan; Cucinotta, Clotilde S.; Horsfield, Andrew P.
err分享
err收藏
Accelerating GW calculations through machine-learned dielectric matrices
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2023-10-07
err7
errOAAI
errZauchner, Mario G.; Horsfield, Andrew; Lischner, Johannes
err分享
err收藏
Fluorescence in quantum dynamics: Accurate spectra require post-mean-field approaches
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-04-10
err2
errOAAI
errBustamante, Carlos M.; Gadea, Esteban D.; Todorov, Tchavdar N.; Horsfield, Andrew; Stella, Lorenzo; Scherlis, Damian A.
err分享
err收藏
The influence of surface Fe on the corrosion of Mg
errJOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
IF4.9
err2022-11-01
err7
PREAI
errLi, Mengxuan; Cucinotta, Clotilde S.; Horsfield, Andrew P.
err分享
err收藏
Molecular dynamics study of structure and reactions at the hydroxylated Mg(0001)/bulk water interface
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-10-20
err2
errOAAI
errFogarty, R. M.; Horsfield, A. P.
err分享
err收藏
Structure and interactions at the Mg(0001)/water interface: An ab initio study
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-06-23
err3
errOAAI
errFogarty, R. M.; Li, B. X.; Harrison, N. M.; Horsfield, A. P.
err分享
err收藏
QM/MM optimization with quantum coupling: Host-guest interactions in a pentacene-doped p-terphenyl crystal
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-01-24
err4
errOAAI
errBertoni, Andres I.; Fogarty, Richard M.; Sanchez, Cristian G.; Horsfield, Andrew P.
err分享
err收藏
Predicting polarizabilities of silicon clusters using local chemical environments
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2021-10-22
err5
errOAAI
errZauchner, Mario G.; Dal Forno, Stefano; Csanyi, Gabor; Horsfield, Andrew; Lischner, Johannes
err分享
err收藏
A simple approximation to the electron-phonon interaction in population dynamics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-12-17
err5
errOAAI
errBustamante, Carlos M.; Todorov, Tchavdar N.; Sanchez, Cristian G.; Horsfield, Andrew; Scherlis, Damian A.
err分享
err收藏
Beyond two-center tight binding: Models for Mg and Zr
errPHYSICAL REVIEW MATERIALS
IF3.4
err2020-11-16
err1
PREAI
errFogarty, R. M.; Smutna, J.; Wenman, M. R.; Horsfield, A. P.
err分享
err收藏
Systematic development of ab initio tight-binding models for hexagonal metals
errPHYSICAL REVIEW MATERIALS
IF3.4
err2020-04-10
err2
errOAAI
errSmutna, J.; Fogarty, R. M.; Wenman, M. R.; Horsfield, A. P.
err分享
err收藏
Solidification orientation relationships between Al3Ti and TiB2
errACTA MATERIALIA
IF9.3
err2020-03-01
err21
errOAAI
errCui, Y.; King, D. J. M.; Horsfield, A. P.; Gourlay, C. M.
err分享
err收藏
The microscopic Einstein-de Haas effect
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-06-14
err6
errOAAI
errWells, T.; Horsfield, A. P.; Foulkes, W. M. C.; Dudarev, S. L.
err分享
err收藏

研究方向

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