214 citations · 432 across the 8 of their papers we have counts for
8 papers
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…
Datatractor: Metadata, automation, and registries for extractor interoperability in the chemical and materials sciences
Matthew L. Evans, Gian-Marco Rignanese, David Elbert +1
Two key issues hindering the transition towards FAIR data science are the poor discoverability and inconsistent instructions for the use of data extractor tools, i.e., how we go fr…
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…
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…
14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon
Kevin Maik Jablonka, Qianxiang Ai, Alexander Al-Feghali +50
Large-language models (LLMs) such as GPT-4 caught the interest of many scientists. Recent studies suggested that these models could be useful in chemistry and materials science. To…
OPTIMADE, an API for exchanging materials data
Casper W. Andersen, Rickard Armiento, Evgeny Blokhin +53
The Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible an…
Robust model benchmarking and bias-imbalance in data-driven materials science: a case study on MODNet
Pierre-Paul De Breuck, Matthew L. Evans, Gian-Marco Rignanese
As the number of novel data-driven approaches to material science continues to grow, it is crucial to perform consistent quality, reliability and applicability assessments of model…
Interactions between unidirectional quantized vortex rings
T. Zhu, M. L. Evans, R. A. Brown +2
We have used the vortex filament method to numerically investigate the interactions between pairs of quantized vortex rings that are initially traveling in the same direction but w…