52 citations · 243 across the 11 of their papers we have counts for
3 papers · 1 filter
Complexity of Many-Body Interactions in Transition Metals via Machine-Learned Force Fields from the TM23 Data Set
Cameron J. Owen, Steven B. Torrisi, Yu Xie +6
This work examines challenges associated with the accuracy of machine-learned force fields (MLFFs) for bulk solid and liquid phases of d-block elements. In exhaustive detail, we co…
Phoebe: a High-Performance Framework for Solving Phonon and Electron Boltzmann Transport Equations
Andrea Cepellotti, Jennifer Coulter, Anders Johansson +2
Understanding the electrical and thermal transport properties of materials is critical to the design of electronics, sensors and energy conversion devices. Computational modeling c…
Optoelectronic Response of Type-I Weyl Semimetals TaAs and NbAs from First Principles
Christina A. C. Garcia, Jennifer Coulter, Prineha Narang
Weyl semimetals are materials with topologically nontrivial band structure both in the bulk and on the surface, hosting chiral nodes which are sinks and sources of Berry curvature.…