A. Genreith‐Schriever

collaborators

3 papers

physics.chem-ph2025

A foundation model for atomistic materials chemistry

Ilyes Batatia, Philipp Benner, Yuan Chiang +85

Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the world, underpinning much…

cond-mat.mtrl-sci2025

Dome-like pressure-temperature phase diagram of the cooperative Jahn--Teller distortion in NaNiO $_{2}$

Liam A. V. Nagle-Cocco, James M. A. Steele, Shiyu Deng +6

NaNiO $_{2}$ is a Ni $^{3 +}$ -containing layered material consisting of alternating triangular networks of Ni and Na cations, separated by octahedrally-coordinated O anions. At ambient…

cond-mat.mtrl-sci2024

Displacive Jahn--Teller transition in NaNiO $_{2}$

Liam Agostino Vincenzo Nagle-Cocco, Annalena R. Genreith-Schriever, James M. A. Steele +10

Below its Jahn--Teller transition temperature, $T_{JT}$ , NaNiO $_{2}$ has a monoclinic layered structure consisting of alternating layers of edge-sharing NaO $_{6}$ and Jahn-Telle…

A foundation model for atomistic materials chemistry

Dome-like pressure-temperature phase diagram of the cooperative Jahn--Teller distortion in NaNiO2​

Displacive Jahn--Teller transition in NaNiO2​

Dome-like pressure-temperature phase diagram of the cooperative Jahn--Teller distortion in NaNiO $_{2}$

Displacive Jahn--Teller transition in NaNiO $_{2}$