187 citations
- Montanuniversität LeobenAT10 papers
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cond-mat.mtrl-sci2019★ 27 cited
Understanding Phonon Properties in Isoreticular Metal-Organic Frameworks from First Principles
Tomas Kamencek, Natalia Bedoya-Martínez, Egbert Zojer
Metal-organic frameworks (MOFs) are crystalline materials consisting of metal centers and organic linkers forming open and porous structures. They have been extensively studied due…
math.NA2019
Simultaneous Approximation of Measurement Values and Derivative Data using Discrete Orthogonal Polynomials
Roland Ritt, Matthew Harker, Paul O'Leary
This paper presents a novel method for polynomial approximation (Hermite approximation) using the fusion of value and derivative information. Therefore, the least-squares error in…