Materials informatics is a field of study that applies the principles of informatics and data science to materials science and engineering to improve the understanding, use, selection, development, and discovery of materials. The term "materials informatics" is frequently used interchangeably with "data science", "machine learning", and "artificial intelligence" by the community. This is an emerging field, with a goal to achieve high-speed and robust acquisition, management, analysis, and dissemination of diverse materials data with the goal of greatly reducing the time and risk required to develop, produce, and deploy new materials, which generally takes longer than 20 years. This field of endeavor is not limited to some traditional understandings of the relationship between materials and information. Some more narrow interpretations include combinatorial chemistry, process modeling, materials databases, materials data management, and product life cycle management. Materials informatics is at the convergence of these concepts, but also transcends them and has the potential to achieve greater insights and deeper understanding by applying lessons learned from data gathered on one type of material to others. By gathering appropriate meta data, the value of each individual data point can be greatly expanded. == Databases == Databases are essential for any informatics research and applications. In material informatics many databases exist containing both empirical data obtained experimentally, and theoretical data obtained computationally. Big data that can be used for machine learning is particularly difficult to obtain for experimental data due to the lack of a standard for reporting data and the variability in the experimental environment. This lack of big data has led to growing effort in developing machine learning techniques that utilize data extremely data sets. On the other hand, large uniform database of theoretical density functional theory (DFT) calculations exists. These databases have proven their utility in high-throughput material screening and discovery. Some common DFT databases and high throughput tools are listed below: Databases: MaterialsProject.org, MaterialsWeb.org (University of Florida) HT software: Pymatgen, MPInterfaces, Matminer == Beyond computational methods? == The concept of materials informatics is addressed by the Materials Research Society. For example, materials informatics was the theme of the December 2006 issue of the MRS Bulletin. The issue was guest-edited by John Rodgers of Innovative Materials, Inc., and David Cebon of Cambridge University, who described the "high payoff for developing methodologies that will accelerate the insertion of materials, thereby saving millions of investment dollars." The editors focused on the limited definition of materials informatics as primarily focused on computational methods to process and interpret data. They stated that "specialized informatics tools for data capture, management, analysis, and dissemination" and "advances in computing power, coupled with computational modeling and simulation and materials properties databases" will enable such accelerated insertion of materials. A broader definition of materials informatics goes beyond the use of computational methods to carry out the same experimentation, viewing materials informatics as a framework in which a measurement or computation is one step in an information-based learning process that uses the power of a collective to achieve greater efficiency in exploration. When properly organized, this framework crosses materials boundaries to uncover fundamental knowledge of the basis of physical, mechanical, and engineering properties. == Challenges == While there are many who believe in the future of informatics in the materials development and scaling process, many challenges remain. Hill, et al., write that "Today, the materials community faces serious challenges to bringing about this data-accelerated research paradigm, including diversity of research areas within materials, lack of data standards, and missing incentives for sharing, among others. Nonetheless, the landscape is rapidly changing in ways that should benefit the entire materials research enterprise." This remaining tension between traditional materials development methodologies and the use of more computationally, machine learning, and analytics approaches will likely exist for some time as the materials industry overcomes some of the cultural barriers necessary to fully embrace such new ways of thinking. == Analogy from Biology == The overarching goals of bioinformatics and systems biology may provide a useful analogy. Andrew Murray of Harvard University expresses the hope that such an approach "will save us from the era of "one graduate student, one gene, one PhD". Similarly, the goal of materials informatics is to save us from one graduate student, one alloy, one PhD. Such goals will require more sophisticated strategies and research paradigms than applying data-science methods to the same tasks set currently undertaken by students.
AI-assisted software development
AI-assisted software development is the use of artificial intelligence (AI) to augment software development. It uses large language models (LLMs), AI agents and other AI technologies to assist software developers. It helps in a range of tasks of the software development life cycle, from code generation to debugging, editing, testing, UI design, understanding the code, and documentation. Agentic coding denotes the use of AI agents for software development. == Technologies == === Source code generation === Large language models trained or fine-tuned on source-code corpora can generate source code from natural-language descriptions, comments, or docstrings. Research on code-generation systems often evaluates generated programs by functional correctness, such as whether the output passes automated test cases, rather than by syntax alone. Such tools can be features or extensions of integrated development environments (IDEs). === Intelligent code completion === AI agents using pre-trained and fine-tuned LLMs can predict and suggest code completions based on context. According to Husein, Aburajouh & Catal in a 2025 literature review in Computer Standards & Interfaces, "LLMs significantly enhance code completion performance across several programming languages and contexts, and their capability to predict relevant code snippets based on context and partial input boosts developer productivity substantially." === Testing, debugging, code review and analysis === AI is used to automatically generate test cases, identify potential bugs and security vulnerabilities, and suggest fixes. AI can also be used to perform static code analysis and suggest potential performance improvements. == Limitations == Both ownership of and responsibility for AI-generated code is disputed. According to a report from the German Federal Office for Information Security, the use of AI coding assistants without careful oversight from experienced developers can introduce both minor and major security vulnerabilities, and any potential gain in productivity should be weighed against the cost of additional quality control and security measures. According to Deloitte, outputs from AI-assisted software development must be validated through a combination of automated testing, static analysis tools and human review, creating a governance layer to improve quality and accountability. == Vibe coding ==
Tweak programming environment
Tweak is a graphical user interface (GUI) layer written by Andreas Raab for the Squeak development environment, which in turn is an integrated development environment based on the Smalltalk-80 computer programming language. Tweak is an alternative to an earlier graphic user interface layer called Morphic. Development began in 2001. Applications that use the Tweak software include Sophie (version 1), a multimedia and e-book authoring system, and a family of virtual world systems: Open Cobalt, Teleplace, OpenQwaq, 3d ICC's Immersive Terf and the Croquet Project. == Influences == An experimental version of Etoys, a programming environment for children, used Tweak instead of Morphic. Etoys was a major influence on a similar Squeak-based programming environment known as Scratch.
Closest point method
The closest point method (CPM) is an embedding method for solving partial differential equations on surfaces. The closest point method uses standard numerical approaches such as finite differences, finite element or spectral methods in order to solve the embedding partial differential equation (PDE) which is equal to the original PDE on the surface. The solution is computed in a band surrounding the surface in order to be computationally efficient. In order to extend the data off the surface, the closest point method uses a closest point representation. This representation extends function values to be constant along directions normal to the surface. == Definitions == Closest Point function: Given a surface S , c p ( x ) {\displaystyle {\mathcal {S}},cp(\mathbf {x} )} refers to a (possibly non-unique) point belonging to S {\displaystyle {\mathcal {S}}} , which is closest to x {\displaystyle \mathbf {x} } [SE]. Closest point extension: Let S {\displaystyle {\mathcal {S}}} , be a smooth surface in R d {\displaystyle \mathbb {R} ^{d}} . The closest point extension of a function u : S → R {\displaystyle u:{\mathcal {S}}\rightarrow \mathbb {R} } , to a neighborhood Ω {\displaystyle \Omega } of S {\displaystyle {\mathcal {S}}} , is the function v : Ω → R {\displaystyle v:\Omega \rightarrow \mathbb {R} } , defined by v ( x ) = u ( c p ( x ) ) {\displaystyle v(\mathbf {x} )=u(cp(\mathbf {x} ))} . == Closest point method == Initialization consists of these steps [EW]: If it is not already given, a closest point representation of the surface is constructed. A computational domain is chosen. Typically this is a band around the surface. Replace surface gradients by standard gradients in R 3 {\displaystyle \mathbb {R} ^{3}} . Solution is initialized by extending the initial surface data on to the computational domain using the closest point function. After initialization, alternate between the following two steps: Using the closest point function, extend the solution off the surface to the computational domain. Compute the solution to the embedding PDE on a Cartesian mesh in the computational domain for one time step. == Banding == The surface PDE is extended into R 3 {\displaystyle \mathbb {R} ^{3}} however it is only necessary to solve this new PDE near the surface. Hence, we solve the PDE in a band surrounding the surface for efficient computational purposes. Ω c x : ‖ x − c p ( x ) ‖ 2 ≤ λ {\displaystyle \Omega _{c}{x:\|x-cp(x)\|_{2}\leq \lambda }} where λ {\displaystyle \lambda } is the bandwidth. == Example: Heat equation on a circle == Using initial profile u S ( θ , t ) = sin ( θ ) {\displaystyle u_{S}(\theta ,t)=\sin(\theta )} leads to the solution u S ( θ , t ) = exp ( − t ) sin ( θ ) {\displaystyle u_{S}(\theta ,t)=\exp(-t)\sin(\theta )} for the heat equation. Forward Euler time-stepping is used with relation Δ t = 0.1 Δ x 2 {\displaystyle \Delta t=0.1\Delta x^{2}} and degree-four interpolation polynomials for the interpolations. Second-order centered differences are used for the spatial discretization. The CPM results in the expected second order error in the solution u {\displaystyle u} . == Applications == The closest point method can be applied to various PDEs on surfaces. Reaction–diffusion problems on point clouds [RD], eigenvalue problems [EV], and level set equations [LS] are a few examples.
InstallCore
InstallCore (stylized as installCore) was an installation and content distribution platform created by ironSource, considered potentially unwanted programs (PUP) by a number of anti-malware vendors. It included a software development kit (SDK) for Windows and Mac OS X. The program allowed those using it for distribution to include monetization by advertisements or charging for installation, and made its installations invisible to the user and its anti-virus software. The platform and its programs have been rated potentially unwanted programs (PUP) or potentially unwanted applications (PUA) by anti-malware product vendors since 2014, and by Windows Defender Antivirus since 2015. The platform was primarily designed for efficient web-based deployment of various types of application software. As of August 2012, InstallCore was managing 100 million installations every month, offering services for paid, unpaid, and free software by using the SDK version. == History == The InstallCore team introduced the first version of the SDK at the beginning of 2011. The SDK was a fork of the FoxTab installer and had only basic Installation features. InstallCore was discontinued as part of a company flotation in late 2020. == Criticism and malware classification == InstallCore and its software packages have been classified as potentially unwanted programs (PUP) or potentially unwanted applications (PUA), by anti-malware product vendors and Windows Defender Antivirus from 2014–2015 onwards, with many stating that it installs adware and other additional PUPs. Malwarebytes identified the program as "a family of bundlers that installs more than one application on the user's computer". It has been described as "crossing the line into full-blown malware" and a "nasty Trojan".
Voyages: The Trans-Atlantic Slave Trade Database
Voyages: The Trans-Atlantic Slave Trade Database is a database hosted at Rice University that aims to present all documentary material pertaining to the transatlantic slave trade. It is a sister project to African Origins. The database breaks down the kingdoms and countries that engaged in the Atlantic trade. By 2008, the project had gathered data on nearly 35,000 transatlantic slave voyages from 1501 to 1867. For each voyage they sought to establish dates, owners, vessels, captains, African visits, American destinations, numbers of slaves embarked, and numbers landed. They have been able to find much of this material for an estimated 80 percent of the entire transatlantic African slave trade. With corrections for missing voyages, the Project has estimated the entire size of the transatlantic slave trade with more comprehension, precision, and accuracy than before. They reckon that in 366 years, slaving vessels embarked about 12.5 million captives in Africa, and landed 10.7 million in the New World. A horrific discovery is a careful estimate that the Middle Passage took a toll of more than 1.8 million African lives. In this quantitative database, the numbers are enslaved people.
Google Cloud Dataflow
Google Cloud Dataflow is a fully managed service for executing Apache Beam pipelines within the Google Cloud Platform ecosystem. Dataflow provides a fully managed service for executing Apache Beam pipelines, offering features like autoscaling, dynamic work rebalancing, and a managed execution environment. Dataflow is suitable for large-scale, continuous data processing jobs, and is one of the major components of Google's big data architecture on the Google Cloud Platform. At its core, Dataflow's architecture is designed to abstract away infrastructure management, allowing developers to focus purely on the logic of their data processing tasks. When a pipeline written using the Apache Beam SDK is submitted, Dataflow translates this high-level definition into an optimized job graph. The service then provisions and manages a fleet of Google Compute Engine workers to execute this graph in a highly parallelized and fault-tolerant manner. This serverless approach, combined with intelligent autoscaling of both the number of workers (horizontal) and the resources per worker (vertical), ensures that jobs have the precise amount of computational power needed at any given time, optimizing both performance and cost. The service's deep integration with the Google Cloud ecosystem makes it a powerful tool for a variety of use cases beyond simple data movement. For real-time analytics, Dataflow can ingest unbounded streams of data from Cloud Pub/Sub, perform complex transformations, and load results into BigQuery for immediate querying. In machine learning workflows, it is commonly used to preprocess and transform massive datasets stored in Cloud Storage, preparing them for training models in Vertex AI. This versatility makes it the central processing engine for modern ETL (Extract, Transform, Load) operations, streaming analytics, and large-scale data preparation within the cloud. == History == Google Cloud Dataflow was announced in June, 2014 and released to the general public as an open beta in April, 2015. In January, 2016 Google donated the underlying SDK, the implementation of a local runner, and a set of IOs (data connectors) to access Google Cloud Platform data services to the Apache Software Foundation. The donated code formed the original basis for Apache Beam. In August 2022, there was an incident where user timers were broken for certain Dataflow streaming pipelines in multiple regions, which was later resolved. Throughout 2023 and 2024, there have been various other updates and incidents affecting Google Cloud Dataflow, as documented in the release notes and service health history. The donation of the Dataflow SDK to the Apache Software Foundation was a pivotal moment, establishing Apache Beam as a unified, open-source programming model for defining both batch and streaming data pipelines. This strategic move decoupled the pipeline definition from the execution engine. As a result, developers could write portable data processing logic that was not locked into Google's ecosystem. A Beam pipeline can be executed on various runners, including Apache Flink, Apache Spark, and, of course, the highly optimized Google Cloud Dataflow service, providing flexibility and future-proofing data processing investments. == Features == Google Cloud Dataflow supports both batch and streaming data processing pipelines. It automatically handles resource provisioning, data sharding, and scaling according to workload, reducing manual configuration needed for large-scale data operations. == Use cases == Dataflow is used for ETL (Extract, Transform, Load) data pipelines, real-time analytics, and event stream processing for companies in industries such as finance, advertising, and IoT.