49 citations · 63 across the 7 of their papers we have counts for
8 papers
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…
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
Matthew L. Evans, Johan Bergsma, Andrius Merkys +56
The Open Databases Integration for Materials Design (OPTIMADE) application programming interface (API) empowers users with holistic access to a growing federation of databases, enh…
Sampling the Whole Materials Space for Conventional Superconducting Materials
Tiago F. T. Cerqueira, Antonio Sanna, Miguel A. L. Marques
We perform a large scale study of conventional superconducting materials using a machine-learning accelerated high-throughput workflow. We start by creating a comprehensive dataset…
Searching for ductile superconducting Heusler X2YZ compounds
Noah Hoffmann, Tiago F. T. Cerqueira, Pedro Borlido +3
Heusler compounds have always attracted a great deal of attention from researchers thanks to a wealth of interesting properties for technological applications. They are intermetall…
Transfer learning on large datasets for the accurate prediction of material properties
Noah Hoffmann, Jonathan Schmidt, Silvana Botti +1
Graph neural networks trained on large crystal structure databases are extremely effective in replacing ab initio calculations in the discovery and characterization of materials. H…
Large-scale machine-learning-assisted exploration of the whole materials space
Jonathan Schmidt, Noah Hoffmann, Hai-Chen Wang +5
Crystal-graph attention networks have emerged recently as remarkable tools for the prediction of thermodynamic stability and materials properties from unrelaxed crystal structures.…
Machine Learning guided high-throughput search of non-oxide garnets
Jonathan Schmidt, Haichen Wang, Georg Schmidt +1
Garnets, known since the early stages of human civilization, have found important applications in modern technologies including magnetorestriction, spintronics, lithium batteries,…
Dynamic Page Placement on Real Persistent Memory Systems
Miguel Marques, Ilia Kuzmin, João Barreto +2
As persistent memory (PM) technologies emerge, hybrid memory architectures combining DRAM with PM bring the potential to provide a tiered, byte-addressable main memory of unprecede…