84 citations · 166 across the 12 of their papers we have counts for
6 papers · 1 filter
Fermi surface reconstruction and enhanced spin fluctuations in strained LaNiO on LaAlO(001) and SrTiO(001)
Benjamin Geisler, James J. Hamlin, Gregory R. Stewart +2
We explore the structural and electronic properties of the bilayer nickelate La3Ni2O7 on LaAlO3(001) and SrTiO3(001) by using density functional theory including a Coulomb repulsio…
When More Data Hurts: Optimizing Data Coverage While Mitigating Diversity Induced Underfitting in an Ultra-Fast Machine-Learned Potential
Jason B. Gibson, Tesia D. Janicki, Ajinkya C. Hire +3
Machine-learned interatomic potentials (MLIPs) are becoming an essential tool in materials modeling. However, optimizing the generation of training data used to parameterize the ML…
Superconductivity in pressurized ReMoB
S. Sinha, J. Lim, Z. Li +10
The recent surprising discovery of superconductivity with critical temperature = 32 K in MoB above 70 GPa has led to the search for related materials that may superconduc…
Effect of low-temperature compression on superconductivity and crystal structure in strontium metal
J. Lim, S. Sinha, D. E. Jackson +9
The superconducting and structural properties of elemental strontium metal were investigated under pressures up to 60 GPa while maintaining cryogenic conditions during pressure app…
Accelerating superconductor discovery through tempered deep learning of the electron-phonon spectral function
Jason B. Gibson, Ajinkya C. Hire, Philip M. Dee +4
Integrating deep learning with the search for new electron-phonon superconductors represents a burgeoning field of research, where the primary challenge lies in the computational i…
Optical properties and electronic correlations in LaNiO bilayer nickelates under high pressure
Benjamin Geisler, Laura Fanfarillo, James J. Hamlin +3
We explore the optical properties of La3Ni2O7 bilayer nickelates by using density functional theory including a Coulomb repulsion term. Convincing agreement with recent experimenta…