Papers By Citrine

Today the Citrine Platform regularly powers data-driven materials discovery across industries, having moved beyond one-off demonstrations into routine industrial practice.

This study presents an iterative AI-guided workflow that accelerates graphite-based anode development by improving both formulation feasibility and process robustness. Sequential learning via AI/ML-guided multiobjective inverse design for anode optimization was implemented using the Citrine Platform. Starting from a noisy, incomplete dataset, the Citrine Platform was used to generate early surrogate models, which despite low […]

ABD®-900AM is a highly printable, gamma prime strengthened superalloy purposely designed for powder bed fusion (PBF) additive manufacturing (AM) with broad applicability to high-temperature gas turbine, aerospace, defense, and energy applications. To accelerate the adoption of the alloy, a collaborative team led by EPRI has initiated a first-of-a-kind project to demonstrate qualification of the alloy […]

Software tools utilizing artificial intelligence (AI) through machine learning (ML) are becoming increasingly vital in Materials Science and Engineering (MS&E), particularly materials design and development. However, these tools are not yet widely integrated into undergraduate materials engineering curricula. This paper presents a critical review of existing approaches to introducing ML concepts to undergraduate students in […]

Glassy materials form the basis of many modern applications, including nuclear waste immobilization, touch-screen displays, and optical fibers, and also hold great potential for future medical and environmental applications. However, their structural complexity and large composition space make design and optimization challenging for certain applications. Of particular importance for glass processing and design is an […]

Science is and always has been based on data, but the terms ‘data-centric’ and the ‘4th paradigm’ of materials research indicate a radical change in how information is retrieved, handled and research is performed. It signifies a transformative shift towards managing vast data collections, digital repositories, and innovative data analytics methods. The integration of artificial […]

Informatics-driven approaches, such as machine learning and sequential experimental design, have shown the potential to drastically impact next-generation materials discovery and design. In this perspective, we present a few guiding principles for applying informatics-based methods towards the design of novel nuclear waste forms. We advocate for adopting a system design approach, and describe the effective […]

Although the convergence of high-performance computing, automation, and machine learning has significantly altered the materials design timeline, transformative advances in functional materials and acceleration of their design will require addressing the deficiencies that currently exist in materials informatics, particularly a lack of standardized experimental data management. The challenges associated with experimental data management are especially […]

This article provides a brief overview of the many ways that artificial intelligence and machine learning are being used for materials and manufacturing research. Several case studies show how the discovery, development, and deployment of novel materials are being dramatically accelerated through automation and data-driven models. Stuckner, Joshua, S. Mohadeseh Taheri-Mousavi, and James E. Saal. […]

Data-driven models are central to scientific discovery. In efforts to achieve state-of-the-art model accuracy, researchers are employing increasingly complex machine learning algorithms that often outperform simple regressions in interpolative settings (e.g. random k-fold cross-validation) but suffer from poor extrapolation performance, portability, and human interpretability, which limits their potential for facilitating novel scientific insight. Here we […]