932 citations · 6.8k across the 110 of their papers we have counts for
114 papers
Bulk Superconductivity in Rocksalt LaN
Caeli Benyacko, Lin-Ding Yuan, Josiah A. Turner +7
We report the synthesis and characterization of lanthanum nitride by direct reaction of lanthanum metal with high pressure nitrogen gas in a laser floating-zone furnace. Combined s…
Can Autonomous LLM Agents Execute Multireference Quantum Chemistry Calculations?
Victor Chang Lee, James M. Rondinelli
Multireference electronic-structure calculations remain difficult to automate because critical workflow decisions, including active-space selection, state averaging, convergence re…
Instability-Avoiding Active Learning for Cluster Expansions in Complex Multielement Materials
Michael J. Waters, James M. Rondinelli
The high efficiency of cluster expansions make them appealing for studying chemical disorder in complex composition spaces such as in multi-principal element alloys (MPEAs). Severa…
Dynamical Nonrelativistic Spin Splitting via THz Nonlinear Phononics
Linding Yuan, ChanJu You, Ankit Disa +1
Nonrelativistic spin splitting (NRSS) in collinear antiferromagnets offers a route to high-frequency spintronics immune to stray fields, but its dynamic control has remained elusiv…
Transition-state lattice modes and the breakdown of adiabatic tunneling for hydrogen and deuterium in bcc Nb
P. Graham Pritchard, James M. Rondinelli
Interstitial hydrogen and deuterium in body-centered-cubic metals constitute archetypal quantum tunneling systems. Their relevance has been renewed by the connection between hydrog…
Universal Design Principles for High-Quality Persistent Spin Textures
Cheng-Ao Ji, Lingling Tao, James M. Rondinelli +1
Persistent spin texture (PST) describes a unique spin-momentum locking in momentum space that maintains a uniform spin orientation through portions of the Brillouin zone (BZ), enab…