Nicholas Hine
@nickhine.bsky.social
Professor of Physics, University of Warwick. Large-scale electronic structure (LS-DFT), 2D materials, theoretical spectroscopy, developer of ONETEP and ESTEEM.
Machine-Learned Interatomic Potentials for Transition Metal Dichalcogenide Mo1−xWxS2−2ySe2y Alloys
npj Computational Materials 10, 169 (2024).
doi.org/10.1038/s415...
npj Computational Materials 10, 169 (2024).
doi.org/10.1038/s415...
Machine-learned interatomic potentials for transition metal dichalcogenide Mo1−xWxS2−2ySe2y alloys - npj Computational Materials
npj Computational Materials - Machine-learned interatomic potentials for transition metal dichalcogenide Mo1−xWxS2−2ySe2y alloys
doi.org
November 18, 2025 at 3:00 PM
Machine-Learned Interatomic Potentials for Transition Metal Dichalcogenide Mo1−xWxS2−2ySe2y Alloys
npj Computational Materials 10, 169 (2024).
doi.org/10.1038/s415...
npj Computational Materials 10, 169 (2024).
doi.org/10.1038/s415...
Strong atomic reconstruction in twisted bilayers of highly flexible InSe: Machine-Learned Interatomic Potential and continuum model approaches
Phys Rev Materials 9, 014004 (2025)
journals.aps.org/prmaterials/...
Phys Rev Materials 9, 014004 (2025)
journals.aps.org/prmaterials/...
journals.aps.org
November 18, 2025 at 2:59 PM
Strong atomic reconstruction in twisted bilayers of highly flexible InSe: Machine-Learned Interatomic Potential and continuum model approaches
Phys Rev Materials 9, 014004 (2025)
journals.aps.org/prmaterials/...
Phys Rev Materials 9, 014004 (2025)
journals.aps.org/prmaterials/...
You can find Anas' work in the following papers:
Understanding Domain Reconstruction of Twisted Transition Metal Dichalcogenide Bilayers through Machine Learned Interatomic Potentials
2D Materials 12, 045016 (2025)https://iopscience.iop.org/article/10.1088/2053-1583/ae0a69
Understanding Domain Reconstruction of Twisted Transition Metal Dichalcogenide Bilayers through Machine Learned Interatomic Potentials
2D Materials 12, 045016 (2025)https://iopscience.iop.org/article/10.1088/2053-1583/ae0a69
November 18, 2025 at 2:59 PM
You can find Anas' work in the following papers:
Understanding Domain Reconstruction of Twisted Transition Metal Dichalcogenide Bilayers through Machine Learned Interatomic Potentials
2D Materials 12, 045016 (2025)https://iopscience.iop.org/article/10.1088/2053-1583/ae0a69
Understanding Domain Reconstruction of Twisted Transition Metal Dichalcogenide Bilayers through Machine Learned Interatomic Potentials
2D Materials 12, 045016 (2025)https://iopscience.iop.org/article/10.1088/2053-1583/ae0a69
With this approach we relax twisted bilayer models down to under 1 degree twist. We compare to experimental results and find strong agreement with observed reconstruction patterns, tending towards triangular domains in parallel homo-bilayers, hexagonal in antiparallel, and twirls for heterobilayers!
September 24, 2025 at 8:03 AM
With this approach we relax twisted bilayer models down to under 1 degree twist. We compare to experimental results and find strong agreement with observed reconstruction patterns, tending towards triangular domains in parallel homo-bilayers, hexagonal in antiparallel, and twirls for heterobilayers!
For those interested in twistronics, check out session C10 on Thursday morning. For those also interested in MLIPs, check out the talk by #hetsys PhD student Anas Siddiqui!
August 25, 2025 at 9:38 PM
For those interested in twistronics, check out session C10 on Thursday morning. For those also interested in MLIPs, check out the talk by #hetsys PhD student Anas Siddiqui!
@jrkermode.co.uk and I are on the same train!
August 24, 2025 at 5:02 PM
@jrkermode.co.uk and I are on the same train!
Take a paddle steamer!
May 5, 2025 at 5:06 PM
Take a paddle steamer!
February 27, 2025 at 7:32 PM