8 citations · 14 across the 9 of their papers we have counts for
9 papers
Calculations of the Krypton Phase Diagram and Novel Plasticity
Marcin Kirsz, Asuka Iwasaki, Graeme John Ackland
The phase diagram for Kr, as represented by the Tadah! two-body potential is shown to have face-centred cubic (fcc), hexahonal close packed (hcp), and body centred cubic (bcc) regi…
Understanding the lifetime of water with dynamic network analysis: the case of CsOH.H2O
Graeme J. Ackland, Ciprian G. Pruteanu, John S. Loveday +1
We describe the atomic-level motions in caesium hydroxide monohydrate (CsOHHO), which is a chemical compound containing layers of water and hydroxide ions. At this compo…
Observation of ΔJ=0 Rotational Excitation in Dense Hydrogens
Jie Feng, XiaoDi Liu, Haian Xu +3
Raman measurements performed on dense H2, D2 and H2+D2 in a wide pressure-temperature range reveal the presence of the ΔJ=0 rotational excitation. In the gas/fluid state this excit…
The distinction between Ice phases VII, VIII and X
Graeme J Ackland, Andreas Hermann, Kazuki Komatsu +2
Ice phases VII, VIII and X are all based on a body-centered cubic arrangement of molecules, the differences coming from molecular orientation. There is some debate as to whether th…
Oscillation in the SIRS model
D. Marenduzzo, A. T. Brown, C. Miller +1
We study the SIRS epidemic model, both analytically and on a square lattice. The analytic model has two stable solutions, post outbreak/epidemic (no infected, ) and the endemi…
Tadah! A Swiss Army Knife for Developing and Deployment of Machine Learning Interatomic Potentials
M. Kirsz, A. Daramola, A. Hermann +2
The Tadah! code provides a versatile platform for developing and optimizing Machine Learning Interatomic Potentials (MLIPs). By integrating composite descriptors, it allows for a n…
Understanding solid nitrogen through machine learning simulation
Marcin Kirsz, Ciprian G. Pruteanu, Peter I. C. Cooke +1
We construct a fast, transferable, general purpose, machine-learning interatomic potential suitable for large-scale simulations of . The potential is trained only on high qual…
A comparison of different Fourier transform procedures for analysis of diffraction data from noble gas fluids
John E. Proctor, Ciprian G. Pruteanu, Benjamin Moss +4
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 (st…
Income and Poverty in a Developing Economy
Amit K Chattopadhyay, Graeme J Ackland, Sushanta K Mallick
We present a stochastic agent-based model for the distribution of personal incomes in a developing economy. We start with the assumption that incomes are determined both by individ…