134 citations · 1.1k across the 24 of their papers we have counts for
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cond-mat.mtrl-sci2019★ 36 cited
Predicting the phase diagram of titanium dioxide with random search and pattern recognition
Aleks Reinhardt, Chris J. Pickard, Bingqing Cheng
Predicting phase stabilities of crystal polymorphs is central to computational materials science and chemistry. Such predictions are challenging because they first require searchin…
cond-mat.stat-mech2019★ 14 cited
Phase behaviour of empirical potentials of titanium dioxide
Aleks Reinhardt
In recent years, several relatively similar empirical models of titanium dioxide have been proposed as reparameterisations of the potential of Matsui and Akaogi, with the Buckingha…
cond-mat.stat-mech2019★ 2 cited
Microscopic analysis of thermo-orientation in systems of off-centre Lennard-Jones particles
Robert L. Jack, Peter Wirnsberger, Aleks Reinhardt
When fluids of anisotropic molecules are placed in temperature gradients, the molecules may align themselves along the gradient: this is called thermo-orientation. We discuss the t…