84 citations · 166 across the 12 of their papers we have counts for
13 papers
Towards the discovery of high critical magnetic field superconductors
Benjamin Geisler, Philip M. Dee, James J. Hamlin +3
Superconducting materials are of significant technological relevance for a broad range of applications, and intense research efforts aim at enhancing the critical temperature $T_{c…
Developing a Complete AI-Accelerated Workflow for Superconductor Discovery
Jason B. Gibson, Ajinkya C. Hire, Pawan Prakash +8
The quest to identify new superconducting materials with enhanced properties is hindered by the prohibitive cost of computing electron-phonon spectral functions, severely limiting…
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…
Diboride compounds doped with transition metals$\unicode{x2013}$a route to superconductivity through structure stabilization as well as defects
P. M. Dee, J. S. Kim, A. C. Hire +7
Recent investigations into MoB have unveiled a direct connection between a pressure-induced structural transition to a P6/mmm space group structure and the emergence of super…
Structural transitions, octahedral rotations, and electronic properties of NiO rare-earth nickelates under high pressure
Benjamin Geisler, James J. Hamlin, Gregory R. Stewart +2
Motivated by the recent observation of superconductivity with K in pressurized La3Ni2O7 [Nature 621, 493 (2023)], we explore the structural and electronic properties…
A15 NbSi -- A "high" Tc superconductor synthesized at a pressure of one megabar and metastable at ambient conditions
Jinhyuk Lim, J. S. Kim, Ajinkya C. Hire +6
A15 NbSi is, until now, the only high temperature superconductor produced at high pressure (~110 GPa) that has been successfully brought back to room pressure conditions in a m…
Remarkable low-energy properties of the pseudogapped semimetal BePt
L. Fanfarillo, J. J. Hamlin, R. G. Hennig +7
We report measurements and calculations on the properties of the intermetallic compound BePt. High-quality polycrystalline samples show a nearly constant temperature dependence…
Pressure-induced superconductivity in the giant Rashba system BiTeI
D. VanGennep, A. Linscheid, D. E. Jackson +7
At ambient pressure, BiTeI is the first material found to exhibit a giant Rashba splitting of the bulk electronic bands. At low pressures, BiTeI undergoes a transition from trivial…