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Journal of Chemical Theory and Computation|July 14, 2025
Benchmarking Selected Density Functionals and Dispersion Corrections for MOF-5 and Its DerivativesJoshua Edzards, Julia Santana-Andreo, Holger-Dietrich Saßnick, et al.
The Journal of Chemical Physics|May 10, 2024
Tuning structural and electronic properties of metal-organic framework 5 by metal substitution and linker functionalizationJoshua Edzards, Holger-Dietrich Saßnick, Julia Santana Andreo, et al.
ACS Applied Materials & Interfaces|June 16, 2021
High-Throughput Screening of the Thermoelastic Properties of Ultrahigh-Temperature CeramicsPinku Nath, Jose J Plata, Julia Santana-Andreo, et al.
ACS Applied Materials & Interfaces|January 22, 2024
High-Throughput Prediction of the Thermal and Electronic Transport Properties of Large Physical and Chemical Spaces Accelerated by Machine Learning: Charting the <i>ZT</i> of Binary SkutteruditesJulia Santana-Andreo, Antonio M Márquez, Jose J Plata, et al.
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