Harvey Devereux
Harvey Devereux
Working on...
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DL_POLY (Classical Molecular Dynamics) and its Python meta package dlpoly-py, on a Postdoc at Queen Mary University of London
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GPU acceleration in DL_POLY
Top Languages
- C++, Fortran, Rust, shell (bash), Python, Julia, Kotlin, Lua, Javascript (+html/css), C
Frameworks, APIs, build systems, tools, misc-systems, etc.
- MPI, CMake, HPC Schedulers (SLURM/UGE), OpenGL, Vulkan, Android (Jetpack Compose, Kotlin, C++ NDK), CUDA (C++, Fortran), OpenAcc, GCloud, AWS (lambda mostly), git, github/gitlab
Research (talks/ Posters/ Papers/ Etc.)
Posters
Events
- Co-organiser DL_POLY Workshop 10th and 11th January 2024
Talks
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DARS-SWARM 2021 (June 1st - 4th) (a) Corralled Active Brownian Particles: Whirligig Beetles show a density dependent speed with MIPS-like, co-existing high and low density phases, Devereux HL (Presenting), Twomey CR, Turner MS, Thutupalli S.
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DARS-SWARM 2021 (June 1st - 4th) (b) Bottom-up models of swarming and the entropy of visual states, Devereux HL (Presenting), Turner MS.
Papers
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Harvey L. Devereux, Margaret-Ann Withington, Cillian Cockrell, Kostya Trachenko, Alin Marin Elena, Performance of the MACE-MP-0 potential for calculating viscosity in LiF molten salt, 2024 arXiv pre-print
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C. Cockrell, M. Withington, H. L. Devereux, A. M. Elena, I. T. Todorov, Z. K. Liu, S. L. Shang, J. S. McCloy, P. A. Bingham, K. Trachenko, Thermal conductivity and thermal diffusivity of molten salts: insights from molecular dynamics simulations and fundamental bounds, 2024 arXiv pre-print
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Withington, M., Devereux, H.L., Cockrell, C., Elena, A.M., Todorov, I.T., Liu, Z.K., Shang, S.L., McCloy, J.S., Bingham, P.A. and Trachenko, K., 2024. Viscosity bounds in liquids with different structure and bonding types. Physical Review B, 109(9), p.094205. https://doi.org/10.1103/PhysRevB.109. (Open Access)
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Devereux, HL. and Turner, MS., 2023. Environmental path-entropy and collective motion. Physical Review Letters, 130(16), p.168201. https://doi.org/10.1103/PhysRevLett.130.168201 (Open Access)
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Devereux HL, Twomey CR, Turner MS, Thutupalli S. 2021 Whirligig beetles as corralled active Brownian particles. J. R. Soc. Interface 18: 20210114. https://doi.org/10.1098/rsif.2021.0114 (ArXiv - https://arxiv.org/abs/2104.03080)
Funding
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Material Chemistry Consortium (MCC) compute time on ARCHER2, the UK National Supercomputing Service.
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EPSRC and MRC Centre for Doctoral Training in Mathematics for Real-World Systems, EP/L015374/1 (PhD Studentship 2017-2021) Inc. 3-month fully-funded coronavirus extension.
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Warwick-Turing AI Research Strategy Scheme Postdoc
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HPC compute time: Joint Usage/Research Center for Interdisciplinary Large-scale Information Infrastructures” and ”High Performance Computing Infrastructure” in Japan Project ID: jh220054
I'm also on Github...
https://github.com/harveydevereux - mostly for my PhD work (2017 - 2023)