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We have developed Aitomia - a platform powered by AI to assist in performing AI-driven atomistic and quantum chemical (QC) simulations. This evolving intelligent assistant platform is equipped with chatbots and AI agents to help experts and…

Computational Physics · Physics 2026-03-17 Jinming Hu , Hassan Nawaz , Yi-Fan Hou , Yuting Rui , Lijie Chi , Yuxinxin Chen , Arif Ullah , Pavlo O. Dral

Efforts to enhance education and broaden participation in AI will benefit from a systematic understanding of the competencies underlying AI expertise. In this paper, we observe that AI expertise requires integrating computational,…

Computers and Society · Computer Science 2022-10-03 Maithilee Kunda

Technological advances in the context of digital transformation are the basis for rapid developments in the field of artificial intelligence (AI). Although AI is not a new topic in computer science (CS), recent developments are having an…

Computers and Society · Computer Science 2023-05-12 Tilman Michaeli , Stefan Seegerer , Ralf Romeike

We explore the effectiveness and reliability of an artificial intelligence (AI)-based grading system for a handwritten general chemistry exam, comparing AI-assigned scores to human grading across various types of questions. Exam pages and…

Computers and Society · Computer Science 2025-11-11 Jan Cvengros , Gerd Kortemeyer

Generative AI challenges traditional assessments by allowing students to produce correct answers without demonstrating understanding or reasoning. Rather than prohibiting AI, this work argues that one way to integrate AI into education is…

Computers and Society · Computer Science 2026-02-03 Ahmad Samer Wazan

Quantum computing is increasingly practiced through programming, yet most educational offerings emphasize algorithmic or framework-level use rather than software engineering concerns such as testing, abstraction, tooling, and lifecycle…

Software Engineering · Computer Science 2026-04-28 Andriy Miranskyy

Natural language processing models have emerged that can generate usable software and automate a number of programming tasks with high fidelity. These tools have yet to have an impact on the chemistry community. Yet, our initial testing…

Statistical Mechanics · Physics 2023-01-11 Glen M. Hocky , Andrew D. White

Research on how the popularization of generative Artificial Intelligence (AI) tools impacts learning environments has led to hesitancy among educators to teach these tools in classrooms, creating two observed disconnects. Generative AI…

Computers and Society · Computer Science 2025-11-18 Anya Bardach , Hamilton Murrah

In the pursuit of novel catalyst development to address pressing environmental concerns and energy demand, conventional design and optimization methods often fall short due to the complexity and vastness of the catalyst parameter space. The…

Chemical Physics · Physics 2024-02-08 Nung Siong Lai , Yi Shen Tew , Xialin Zhong , Jun Yin , Jiali Li , Binhang Yan , Xiaonan Wang

The integration of AI tools into programming education has become increasingly prevalent in recent years, transforming the way programming is taught and learned. This paper provides a review of the state-of-the-art AI tools available for…

Computers and Society · Computer Science 2025-08-19 Nikolaos Avouris , Kyriakos Sgarbas , George Caridakis , Christos Sintoris

Artificial Intelligence (AI) education is an increasingly popular topic area for K-12 teachers. However, little research has investigated how AI education can be designed to be more accessible to all learners. We organized co-design…

Physics Education · Physics 2020-09-24 Jessica Van Brummelen , Phoebe Lin

Artificial Intelligence (AI) has the potential to fundamentally change the educational landscape. So far, much of the physics education research relating to AI has focused on lecture-based assessment and the ability of ChatGPT to answer…

Physics Education · Physics 2024-01-02 Andrew Low , Z. Yasemin Kalender

Despite growing interest in AI education, most AIED initiatives remain narrowly targeted toward STEM-prepared students, limiting participation by non-STEM learners and adults seeking to engage with AI in public-interest, policy, or…

Computers and Society · Computer Science 2026-04-24 Valentina Kuskova , Dmitry Zaytsev , Richard Johnson

Despite AI tools becoming increasingly embedded in academic practice, little is known about how university students integrate them into their writing processes. We examine how students engage with AI across different writing tasks, and how…

Human-Computer Interaction · Computer Science 2026-04-29 Silvia Bodei , Duncan P. Brumby , Katie Fisher , Jon Mella

As artificial intelligence (AI) increasingly shapes decision-making across domains, there is a growing need to support AI literacy among learners beyond computer science. However, many current approaches rely on programming-heavy tools or…

Computers and Society · Computer Science 2025-11-10 Aparna Maya Warrier , Arav Agarwal , Jaromir Savelka , Christopher Bogart , Heather Burte

Most AI literacy courses for non-technical undergraduates emphasize conceptual breadth over technical depth. This paper describes UNIV 182, a prerequisite-free course at George Mason University that teaches undergraduates across majors to…

Computers and Society · Computer Science 2026-04-14 Amarda Shehu

In response to the exponential growth in the use of artificial intelligence and machine learning applications, educators, researchers and policymakers have taken steps to integrate artificial intelligence applications into K-12 education.…

Computers and Society · Computer Science 2026-02-20 Yasmin Kafai , José Ramón Lizárraga , R. Benjamin Shapiro

Large language models (LLMs) are transforming the landscape of chemistry and materials science. Recent examples of LLM-accelerated experimental research include virtual assistants for parsing synthesis recipes from the literature, or using…

Materials Science · Physics 2024-11-12 Davi M Fébba , Kingsley Egbo , William A. Callahan , Andriy Zakutayev

The recent emergence of generative AI and Large Language Models (LLMs), particularly following the release of ChatGPT in late 2022, has significantly impacted both academic research and industrial practice. This development has vast…

Computers and Society · Computer Science 2026-04-21 Iris Groher , Michael Vierhauser , Markus Weninger

The rapid adoption of generative artificial intelligence (AI) tools in higher education is transforming how students engage with undergraduate mathematics, raising concerns about learning and assessment validity. This study examines the…

History and Overview · Mathematics 2025-12-25 Siyuan Wang , Qing Xia , Qiong Ye