Luis Barroso-Luque

most citedModeling intercalation chemistry with multi-redox reactions by sparse lattice models in disordered rocksalt cathodes

12 citations · 13 across the 4 of their papers we have counts for

collaborators

4 papers

cond-mat.mtrl-sci2025★ 1 cited

Materials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry

Tsz Wai Ko, Bowen Deng, Marcel Nassar +7

Graph deep learning models, which incorporate a natural inductive bias for a collection of atoms, are of immense interest in materials science and chemistry. Here, we introduce the…

cond-mat.mtrl-sci2023

Kinetics of Li transport in vanadium-based disordered rocksalt structures

Zinab Jadidi, Tina Chen, Luis Barroso-Luque +1

Disordered rocksalt Li-excess (DRX) compounds have emerged as promising new cathode materials for lithium-ion batteries, as they can consist solely of resource-abundant metals and…

cond-mat.mtrl-sci2023★ 12 cited

Modeling intercalation chemistry with multi-redox reactions by sparse lattice models in disordered rocksalt cathodes

Peichen Zhong, Fengyu Xie, Luis Barroso-Luque +2

Modern battery materials can contain many elements with substantial site disorder, and their configurational state has been shown to be critical for their performance. The intercal…

cond-mat.mtrl-sci2023

Crystal Structures and Phase Stability of the Li $_{2}$ S-P $_{2}$ S $_{5}$ System from First Principles

Ronald L. Kam, KyuJung Jun, Luis Barroso-Luque +3

The Li $_{2}$ S-P $_{2}$ S $_{5}$ pseudo-binary system has been a valuable source of promising superionic conductors, with $α$ -Li $_{3}$ PS $_{4}$ , $β$ -Li $_{3}$ PS $_{4}$ , HT-Li $_{7}$ PS $_{6}$ , and Li $_{7}$ P $_{3}$ …

Materials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry

Kinetics of Li transport in vanadium-based disordered rocksalt structures

Modeling intercalation chemistry with multi-redox reactions by sparse lattice models in disordered rocksalt cathodes

Crystal Structures and Phase Stability of the Li2​S-P2​S5​ System from First Principles

Crystal Structures and Phase Stability of the Li $_{2}$ S-P $_{2}$ S $_{5}$ System from First Principles