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cond-mat.mtrl-sci2025
Accelerating the discovery of high-performance nonlinear optical materials using active learning and high-throughput screening
Victor Trinquet, Matthew L. Evans, Gian-Marco Rignanese
Due to their abundant use in all-solid-state lasers, nonlinear optical (NLO) crystals are needed for many applications across diverse fields such as medicine and communication. How…
cond-mat.mtrl-sci2024
Optical materials discovery and design with federated databases and machine learning
Victor Trinquet, Matthew L. Evans, Cameron J. Hargreaves +2
Combinatorial and guided screening of materials space with density-functional theory and related approaches has provided a wealth of hypothetical inorganic materials, which are inc…
cond-mat.mtrl-sci2024
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…