293 citations · 562 across the 14 of their papers we have counts for
14 papers
Improved Description of Perovskite Oxide Crystal Structure and Electronic Properties using Self-Consistent Hubbard Corrections from ACBN0
Kevin J. May, Alexie M. Kolpak
The wide variety of complex physical behavior exhibited in transition metal oxides, particularly the perovskites AO, makes them a material family of interest in many researc…
On-the-Fly Active Learning of Interpretable Bayesian Force Fields for Atomistic Rare Events
Jonathan Vandermause, Steven B. Torrisi, Simon Batzner +4
Machine learned force fields typically require manual construction of training sets consisting of thousands of first principles calculations, which can result in low training effic…
High-Throughput Calculations of Thermal Conductivity in Nanoporous Materials: The Case of Half-Heusler Compounds
Giuseppe Romano, Jesús Carrete, Alexie M. Kolpak +1
Achieving low thermal conductivity and good electrical properties is a crucial condition for thermal energy harvesting materials. Nanostructuring offers a very powerful tool to add…
Diffusive Phonons in Nongray Nanostructures
Giuseppe Romano, Alexie M. Kolpak
Nanostructured semiconducting materials are promising candidates for thermoelectrics due to their potential to suppress phonon transport while preserving electrical properties. Mod…
Thermal Anisotropy Enhanced by Phonon Size Effects in Nanoporous Materials
Giuseppe Romano, Alexie M. Kolpak
While thermal anisotropicity is a desirable materials property for many applications, including transverse thermoelectrics and thermal management in electronic devices, it remains…
Directional Phonon Suppression Function as a Tool for the Identification of Ultralow Thermal Conductivity Materials
Giuseppe Romano, Alexie M. Kolpak
Boundary-engineering in nanostructures has the potential to dramatically impact the development of materials for high-efficiency conversion of thermal energy directly into electric…