Zobrazeno 1 - 10
of 1 818
pro vyhledávání: '"Ackland, P."'
We construct a fast, transferable, general purpose, machine-learning interatomic potential suitable for large-scale simulations of $N_2$. The potential is trained only on high quality quantum chemical molecule-molecule interactions, no condensed phas
Externí odkaz:
http://arxiv.org/abs/2405.05092
Autor:
Proctor, John E., Pruteanu, Ciprian G., Moss, Benjamin, Kuzovnikov, Mikhail A., Ackland, Graeme J., Monk, Christopher W., Anzellini, Simone
Publikováno v:
Journal of Applied Physics 134, 114701 (2023)
A comparison is made between the three principal methods for analysis of neutron and X-ray diffraction data from noble gas fluids by direct Fourier transform. All three methods (standard Fourier transform, Lorch modification and Soper-Barney modifica
Externí odkaz:
http://arxiv.org/abs/2309.17135
Through density functional theory and molecular dynamics calculations, we have analysed various metal polyhydrides to understand whether hydrogen is present in its molecular or atomic form - tetrahydrides of Ba,Sr,Ra, Cs and La; Ba$_8$H$_{46}$ and Ba
Externí odkaz:
http://arxiv.org/abs/2304.13126
Lanthanum hydride is the superconductor with the highest known critical temperature. It is believed that the superconductivity is of standard BCS-type, with electrons forming Cooper pairs and opening the superconducting band gap. Here we show that th
Externí odkaz:
http://arxiv.org/abs/2303.01441
Compression and information entropy of binary strings from the collision history of three hard balls
Autor:
Vedak, Matej, Ackland, Graeme J
We investigate how to measure and define the entropy of a simple chaotic system, three hard spheres on a ring. A novel approach is presented, which does not assume the ergodic hypothesis. It consists of transforming the particles collision history in
Externí odkaz:
http://arxiv.org/abs/2302.07054
Autor:
Ackland, Graeme J
We use Monte Carlo simulation to determine the stable structures in the second-neighbour Ising model on the face-centred cubic lattice. Those structures are L1_1 for strongly antiferromagnetic second neighbour interactions and L1_0 for ferromagnetic
Externí odkaz:
http://arxiv.org/abs/2301.00869
Autor:
Princess E. Ackland, Hildi J. Hagedorn, Marie E. Kenny, Hope A. Salameh, Shannon M. Kehle-Forbes, Allison M. Gustavson, Leyla E. Karimzadeh, Laura A. Meis
Publikováno v:
BMC Medical Research Methodology, Vol 24, Iss 1, Pp 1-10 (2024)
Abstract Background Use of participatory research methods is increasing in research trials. Once partnerships are established with end-users, there is less guidance about processes research teams can use to successfully incorporate end-user feedback.
Externí odkaz:
https://doaj.org/article/e03f8696b23b41febc161b15a25cb603
Autor:
Christine L. Paul, Nicole M. Verrills, Stephen Ackland, Rodney Scott, Susan Goode, Ann Thomas, Sarah Lukeman, Sarah Nielsen, Judith Weidenhofer, James Lynam, Elizabeth A. Fradgley, Jarad Martin, Peter Greer, Stephen Smith, Cassandra Griffin, Kelly A. Avery-Kiejda, Nick Zdenkowski, Andrew Searles, Shanthi Ramanathan
Publikováno v:
BMC Health Services Research, Vol 24, Iss 1, Pp 1-12 (2024)
Abstract Background Translating research, achieving impact, and assessing impact are important aspirations for all research collaboratives but can prove challenging. The Hunter Cancer Research Alliance (HCRA) was funded from 2014 to 2021 to enhance c
Externí odkaz:
https://doaj.org/article/4771e64c6f024016b0a738d8a8744d75
Publikováno v:
Physical Review B. Volumes 106, Issue 8, Pages L081102, August 2022
Osmium, the least compressible metal, has recently been observed to undergo abrupt changes in the c/a ratio at extreme pressures. These are claimed to provide evidence for two unusual electronic behaviors: a crossing of the semicore 4f and 5p levels,
Externí odkaz:
http://arxiv.org/abs/2204.10057
Autor:
Harrison Manley, Thomas Bayley, Gabriel Danelian, Lucy Burton, Thomas Finnie, Andre Charlett, Nicholas A. Watkins, Paul Birrell, Daniela De Angelis, Matt Keeling, Sebastian Funk, Graham Medley, Lorenzo Pellis, Marc Baguelin, Graeme J. Ackland, Johanna Hutchinson, Steven Riley, Jasmina Panovska-Griffiths
Publikováno v:
Royal Society Open Science, Vol 11, Iss 5 (2024)
Mathematical modelling has played an important role in offering informed advice during the COVID-19 pandemic. In England, a cross government and academia collaboration generated medium-term projections (MTPs) of possible epidemic trajectories over th
Externí odkaz:
https://doaj.org/article/2bc6adafcb43498ab1ecfa7f652536a0