Atomic Cluster Expansion without Self-Interaction

Autor: Ho, Cheuk Hin, Gutleb, Timon S., Ortner, Christoph

The Atomic Cluster Expansion (ACE) (Drautz, Phys. Rev. B 99, 2019) has been widely applied in high energy physics, quantum mechanics and atomistic modeling to construct many-body interaction models respecting physical symmetries. Computational effici

Externí odkaz: http://arxiv.org/abs/2401.01550

A Multilevel Method for Many-Electron Schr\'{o}dinger Equations Based on the Atomic Cluster Expansion

Autor: Zhou, Dexuan, Chen, Huajie, Ho, Cheuk Hin, Ortner, Christoph

The atomic cluster expansion (ACE) (Drautz, 2019) yields a highly efficient and intepretable parameterisation of symmetric polynomials that has achieved great success in modelling properties of many-particle systems. In the present work we extend the

Externí odkaz: http://arxiv.org/abs/2304.04260

Effects of osmotic stress on molecular responses of gill cells from Japanese eels, Anguilla Japonica

Autor: Ho, Cheuk Hin

Publikováno v: Open Access Theses and Dissertations.

Japanese eels (Anguilla japonicas) are snakelike fishes living in waters in the Asian region. In contrast to most fishes which are stenohalines that can only live in waters with a narrow range of salinity, Japanese eels are classified as euryhalines

Externí odkaz: https://repository.hkbu.edu.hk/etd_oa/885
https://repository.hkbu.edu.hk/cgi/viewcontent.cgi?article=1888&context=etd_oa

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ACEpotentials.jl: A Julia implementation of the atomic cluster expansion.

Autor: Witt WC; Department of Materials Science and Metallurgy, University of Cambridge, Cambridge, United Kingdom., van der Oord C; Engineering Laboratory, University of Cambridge, Cambridge CB2 1PZ, United Kingdom., Gelžinytė E; Engineering Laboratory, University of Cambridge, Cambridge CB2 1PZ, United Kingdom., Järvinen T; Department of Mathematics, University of British Columbia, 1984 Mathematics Road, Vancouver, British Columbia V6T 1Z2, Canada., Ross A; Department of Mathematics, University of British Columbia, 1984 Mathematics Road, Vancouver, British Columbia V6T 1Z2, Canada., Darby JP; Warwick Centre for Predictive Modelling, School of Engineering, University of Warwick, Coventry CV4 7AL, United Kingdom., Ho CH; Department of Mathematics, University of British Columbia, 1984 Mathematics Road, Vancouver, British Columbia V6T 1Z2, Canada., Baldwin WJ; Engineering Laboratory, University of Cambridge, Cambridge CB2 1PZ, United Kingdom., Sachs M; School of Mathematics, University of Birmingham, Birmingham B15 2TT, United Kingdom., Kermode J; Warwick Centre for Predictive Modelling, School of Engineering, University of Warwick, Coventry CV4 7AL, United Kingdom., Bernstein N; Center for Materials Physics and Technology, U.S. Naval Research Laboratory, Washington, District of Columbia 20375, USA., Csányi G; Engineering Laboratory, University of Cambridge, Cambridge CB2 1PZ, United Kingdom., Ortner C; Department of Mathematics, University of British Columbia, 1984 Mathematics Road, Vancouver, British Columbia V6T 1Z2, Canada.

Publikováno v: The Journal of chemical physics [J Chem Phys] 2023 Oct 28; Vol. 159 (16).