15 citations · 26 across the 4 of their papers we have counts for
10 papers
Coordination chemistry in molecular symmetry adapted spin space (mSASS)
R. Matthias Geilhufe, Jeffrey D. Rinehart
Many areas of chemistry are devoted to the challenge of understanding, predicting, and controlling the behavior of strongly localized electrons. Examples include molecular magnetis…
Drive Quantum Matter
Gayanath W. Fernando, R. Matthias Geilhufe, Adil-Gerai Kussow +1
Single- and many-electron calculations and related dynamics are presented for a dimer and small Hubbard clusters. Floquet-Bloch picture for a periodic dimer is discussed with regar…
Dirac Materials for Sub-MeV Dark Matter Detection: New Targets and Improved Formalism
R. Matthias Geilhufe, Felix Kahlhoefer, Martin Wolfgang Winkler
Because of their tiny band gaps Dirac materials promise to improve the sensitivity for dark matter particles in the sub-MeV mass range by many orders of magnitude. Here we study se…
Spin wave excitations of magnetic metalorganic materials
Johan Hellsvik, Roberto Díaz Pérez, R. Matthias Geilhufe +2
The Organic Materials Database (OMDB) is an open database hosting about 22,000 electronic band structures, density of states and other properties for stable and previously synthesi…
Computational search for Dirac and Weyl nodes in -electon antiperovskites
Anna Pertsova, R. Matthias Geilhufe, Martin Bremholm +1
We present the result of an \textit{ab initio} search for new Dirac materials among inverse perovskites. Our investigation is focused on the less studied class of lanthanide antipe…
Band gap prediction for large organic crystal structures with machine learning
Bart Olsthoorn, R. Matthias Geilhufe, Stanislav S. Borysov +1
Machine-learning models are capable of capturing the structure-property relationship from a dataset of computationally demanding ab initio calculations. Over the past two years, th…