2 papers
cond-mat.mtrl-sci2022
Ground state dynamically stable phases for fluorine in the TPa pressure regime by evolutionary algorithms
Beatriz Helena Cogollo-Olivo, Javier A. Montoya
In this work, we employed \textit{ab initio} methods combined with evolutionary algorithms for searching stable structures for fluorine in the terapascal (TPa) regime. We performed…
cond-mat.mtrl-sci2019
{\it Ab initio} determination of the phase diagram of CO at high pressures and temperatures
Beatriz H. Cogollo-Olivo, Sananda Biswas, Sandro Scandolo +1
The experimental study of the CO phase diagram is hampered by strong kinetic effects leading to wide regions of metastability and to large uncertainties in the location of phas…