Discovery of Energy Materials

Stable and metastable crystal structures and ammonia dynamics in strontium chloride ammines
Metal halide ammines are promising ammonia storage materials due to their high ammonia densities and suitable decomposition properties. …
Samet Demir, Gozde Inis Demir, Mehmet Cankaya, Adem Tekin
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Stable and metastable crystal structures and ammonia dynamics in strontium chloride ammines
FFCASP: A Massively Parallel Crystal Structure Prediction Algorithm
A new algorithm called Fast and Flexible CrystAl Structure Predictor (FFCASP) was developed to predict the structure of covalent and …
Samet Demir, Adem Tekin
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FFCASP: A Massively Parallel Crystal Structure Prediction Algorithm