The Journal of Physical Chemistry Letters 12, 4160 (2021)
High-throughput computational screening of cubic perovskites for solid oxide fuel cell cathodes
Applied Surface Science 556, 149709 (2021)
Empowering hydrogen storage properties of haeckelite monolayers via metal atom functionalization
Pushing the limits of solubility prediction via quality-oriented data selection
Scientific Reports 11, 4089 (2021)
A quantitative evaluation of computational methods to accelerate the study of alloxazine-derived electroactive compounds for energy storage
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Scientific Reports 10, 22149 (2020)
Comparison of computational chemistry methods for the discovery of quinone-based electroactive compounds for energy storage