112 citations · 119 across the 7 of their papers we have counts for
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cond-mat.mtrl-sci2020★ 1 cited
The ground state and polymorphism of LiSc(BH4)4 finally understood by Density Functional Theory modelling
Agnieszka Starobrat, Mariana Derzsi, Tomasz Jaroń +2
We report a new metastable gamma polymorph of mixed metal borohydride LiSc(BH4)4. Using Density Functional Theory calculations with dispersion corrections, we prove importance of v…
q-bio.QM2020★ 112 cited
PEtab -- interoperable specification of parameter estimation problems in systems biology
Leonard Schmiester, Yannik Schälte, Frank T. Bergmann +26
Reproducibility and reusability of the results of data-based modeling studies are essential. Yet, there has been -- so far -- no broadly supported format for the specification of p…