Publications by authors named "Matt Probert"

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An ab initio approach to the Hugoniot.
Jacob S Wilkins, Matt I J Probert

J Chem Phys· October 2024

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Towards MnN as a replacement for IrMn.
William Frost, Fatimah Alsaud, Robert A Lawrence, Matt Probert, Gonzalo Vallejo Fernandez

Sci Rep· September 2024

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Machine-learned acceleration for molecular dynamics in CASTEP.
Tamás K Stenczel, Zakariya El-Machachi, Guoda Liepuoniute, Joe D Morrow, Albert P Bartók, Matt I J Probert

J Chem Phys· July 2023

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Systematic Comparison of Genetic Algorithm and Basin Hopping Approaches to the Global Optimization of Si(111) Surface Reconstructions.
Maximilian N Bauer, Matt I J Probert, Chiara Panosetti

J Phys Chem A· May 2022

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The emergence of sequence-dependent structural motifs in stretched, torsionally constrained DNA.
Jack W Shepherd, Robert J Greenall, Matt I J Probert, Agnes Noy, Mark C Leake

Nucleic Acids Res· February 2020

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Off-the-shelf DFT-DISPersion methods: Are they now "on-trend" for organic molecular crystals?
Dawn Geatches, Ian Rosbottom, Richard L Marchese Robinson, Peter Byrne, Phil Hasnip, Matt I J Probert

J Chem Phys· July 2019

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DL_MG: A Parallel Multigrid Poisson and Poisson-Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution.
James C Womack, Lucian Anton, Jacek Dziedzic, Phil J Hasnip, Matt I J Probert

J Chem Theory Comput· March 2018

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Atomistic dynamics of sulfur-deficient high-symmetry grain boundaries in molybdenum disulfide.
Jinhua Hong, Yanlei Wang, Anle Wang, Danhui Lv, Chuanhong Jin, Matt I J Probert

Nanoscale· July 2017

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Reproducibility in density functional theory calculations of solids.
Kurt Lejaeghere, Gustav Bihlmayer, Torbjörn Björkman, Peter Blaha, Stefan Blügel, Matt I J Probert

Science· March 2016

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Exploring atomic defects in molybdenum disulphide monolayers.
Jinhua Hong, Zhixin Hu, Matt Probert, Kun Li, Danhui Lv

Nat Commun· February 2015

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Density functional theory in the solid state.
Philip J Hasnip, Keith Refson, Matt I J Probert, Jonathan R Yates, Stewart J Clark

Philos Trans A Math Phys Eng Sci· March 2014

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