164 citations · 186 across the 5 of their papers we have counts for
5 papers
Pressure dependence of liquid iron viscosity from machine-learning molecular dynamics
Kai Luo, Xuyang Long, R. E. Cohen
We have developed a machine-learning potential that accurately models the behavior of iron under the conditions of Earth's core. By performing numerous nanosecond scale equilibrium…
A Piezoelectric Molecular Cocrystal with Unconventional -Stacking
Samuel G. Dunning, Aldo Raeliarijaona, Piotr A. Guńka +4
We demonstrate the crystallization of a polar octafluoronaphthalene (OFN, \OFN)--phthalazine (Phth, \Phth) cocrystal, formed in a 1:2 ratio by slow evaporation. The crystal structu…
The Equation of State of MH-III: a possible deep CH reservoir in Titan, Super-Titan exoplanets and moons
Amit Levi, Ronald E. Cohen
We investigate the thermal equation of state, bulk modulus, thermal expansion coefficient, and heat capacity of MH-III (CH filled-ice Ih), needed for the study of CH transp…
Improving the Functional Control of Aged Ferroelectrics using Insights from Atomistic Modelling
J. B. J. Chapman, R. E. Cohen, A. V. Kimmel +1
We provide a fundamental insight into the microscopic mechanisms of the ageing processes. Using large scale molecular dynamics simulations of the prototypical ferroelectric materia…
Comparison of the Electronic Structures and Energetics of Ferroelectric LiNbO3 and LiTaO3
Iris Inbar, R. E. Cohen
This paper explains the origin of the ferroelectric instability in LiNbO3 and LiTaO3 and compares the electronic structures and energetics of the two materials.