105 citations · 196 across the 16 of their papers we have counts for
17 papers
High-throughput study of electrical conductivity in ordered metals
Thalis H. B. da Silva, Hai-Chen Wang, Tiago F. T. Cerqueira +3
We present a computational framework that integrates machine learning with high-throughput ab initio calculations to screen over 2.8 million compounds for metallic transport. We id…
AI-Driven Expansion and Application of the Alexandria Database
Théo Cavignac, Jonathan Schmidt, Pierre-Paul De Breuck +9
We present a novel multi-stage workflow for computational materials discovery that achieves a 99% success rate in identifying compounds within 100 meV/atom of thermodynamic stabili…
Search for thermodynamically stable ambient-pressure superconducting hydrides in GNoME database
Antonio Sanna, Tiago F. T. Cerqueira, Ekin Dogus Cubuk +2
Hydrides are considered to be one of the most promising families of compounds for achieving high temperature superconductivity. However, there are very few experimental reports of…
Enhanced superconductivity in X4H15compounds via hole-doping at ambient pressure
Kun Gao, Wenwen Cui, Tiago F. T. Cerqueira +3
This study presents a computational investigation of X4H15 compounds (where X represents a metal) as potential superconductors at ambient conditions or under pressure. Through syst…
Theory of Superconductivity in LaRuSi and Predictions of New Kagome Flat Band Superconductors
Junze Deng, Yi Jiang, Tiago F. T. Cerqueira +14
We present a comprehensive investigation of the flat-band kagome superconductor LaRuSi, which has recently been reported to host charge density wave (CDW) order above room…
High-throughput study of kagome compounds in the AV3Sb5 family
Thalis H. B. da Silva, Tiago F. T. Cerqueira, Hai-Chen Wang +1
The kagome lattice has emerged as a fertile ground for exotic quantum phenomena, including superconductivity, charge density waves, and topologically nontrivial states. While AV3Sb…