223 citations · 349 across the 16 of their papers we have counts for
16 papers
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…
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…
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…
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…
ZrNb(CO) RF superconducting thin film with high critical temperature in the theoretical limit
Zeming Sun, Thomas Oseroff, Zhaslan Baraissov +11
Superconducting radio-frequency (SRF) resonators are critical components for particle accelerator applications, such as free-electron lasers, and for emerging technologies in quant…
Nb-substitution suppresses the superconducting critical temperature of pressurized MoB
J. Lim, S. Sinha, A. C. Hire +9
A recent work has demonstrated that MoB, transforming to the same structure as MgB (), superconducts at temperatures above 30 K near 100 GPa [C. Pei . Natl…
High critical field superconductivity at ambient pressure in MoB stabilized in the P6/mmm structure via Nb substitution
A. C. Hire, S. Sinha, J. Lim +7
Recently it was discovered that, under elevated pressures, MoB exhibits superconductivity at a critical temperature, , as high as 32 K. The superconductivity appears to de…
Theory of Nb-Zr Alloy Superconductivity and First Experimental Demonstration for Superconducting Radio-Frequency Cavity Applications
Nathan S. Sitaraman, Zeming Sun, Ben Francis +8
Niobium-zirconium (Nb-Zr) alloy is an old superconductor that is a promising new candidate for superconducting radio-frequency (SRF) cavity applications. Using density-functional a…
Data-Augmentation for Graph Neural Network Learning of the Relaxed Energies of Unrelaxed Structures
Jason B. Gibson, Ajinkya C. Hire, Richard G. Hennig
Computational materials discovery has continually grown in utility over the past decade due to advances in computing power and crystal structure prediction algorithms (CSPA). Howev…
Creating superconductivity in WB2 through pressure-induced metastable planar defects
J. Lim, A. C. Hire, Y. Quan +11
High-pressure electrical resistivity measurements reveal that the mechanical deformation of ultra-hard WB2 during compression induces superconductivity above 50 GPa with a maximum…
Machine learning of superconducting critical temperature from Eliashberg theory
S. R. Xie, Y. Quan, A. C. Hire +11
The Eliashberg theory of superconductivity accounts for the fundamental physics of conventional electron-phonon superconductors, including the retardation of the interaction and th…
Towards high-throughput superconductor discovery via machine learning
Stephen R. Xie, Y. Quan, Ajinkya Hire +5
Even though superconductivity has been studied intensively for more than a century, the vast majority of superconductivity research today is carried out in nearly the same manner a…
High pressure study of low-Z superconductor BeRe
J. Lim, A. C. Hire, Y. Quan +11
With , BeRe exhibits one of the highest critical temperatures among Be-rich compounds. We have carried out a series of high-pressure electrical resi…
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…