84 citations · 141 across the 6 of their papers we have counts for
7 papers · 1 filter
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…
Guided Diffusion for the Discovery of New Superconductors
Pawan Prakash, Jason B. Gibson, Zhongwei Li +13
The inverse design of materials with specific desired properties, such as high-temperature superconductivity, represents a formidable challenge in materials science due to the vast…
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…
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…
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…