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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…
cond-mat.mtrl-sci2017
A simple descriptor and predictor for the stable structures of two-dimensional surface alloys
Sananda Biswas, Shobhana Narasimhan
Predicting the ground state of alloy systems is challenging due to the large number of possible configurations. We identify an easily computed descriptor for the stability of binar…